SCHEMBL1648907

SCHEMBL1648907

O=C(O)CCCCCCCCCc1cnccn1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.55
F13A1 P00488 3/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TBXA2R P21731 2/20 0.43
PPARA Q07869 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1649182 1.00 TBXAS1 (0.55) TBXAS1F13A1MAPTRXFP1TBXA2R
SCHEMBL1649502 1.00 TBXAS1 (0.55) TBXAS1F13A1MAPTRXFP1TBXA2R
SCHEMBL1648744 1.00 TBXAS1 (0.55) TBXAS1F13A1MAPTRXFP1TBXA2R
SCHEMBL1649178 1.00 TBXAS1 (0.55) TBXAS1F13A1MAPTRXFP1TBXA2R
SCHEMBL1648470 0.98 TBXAS1 (0.54) TBXAS1F13A1MAPTRXFP1TBXA2R
SCHEMBL1649008 0.93 TBXAS1 (0.47) TBXAS1TBXA2R
SCHEMBL1648472 0.85 KDM4E (0.45) TBXAS1TSHR
SCHEMBL15568312 0.79 TBXAS1 (0.43) TBXAS1LMNATSHR
SCHEMBL2436016 0.79 ADORA3 (0.46) TBXAS1TSHR
SCHEMBL19051556 0.79 SMN1; SMN2 (0.51) TBXAS1MAPTLMNATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608339-B8 PHARMACEUTICAL CO-CRYSTAL OF CELECOXIB-NICOTINAMIDE MCNEIL PPC INC (US) 2012-04-25 EP claimed
US-20070026078-A1 Pharmaceutical co-crystal compositions TRANSFORM PHARMACEUTICALS, INC. (US) 2007-02-01 US claimed
EP-1631260-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2006-03-08 EP claimed
EP-1608339-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2005-12-28 EP claimed
WO-2004078161-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPTINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 WO claimed
WO-2004078163-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 WO claimed
EP-1608339-B8 PHARMACEUTICAL CO-CRYSTAL OF CELECOXIB-NICOTINAMIDE MCNEIL PPC INC (US) 2012-04-25 EP disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-20100311701-A1 Pharmaceutical Co-Crystal Compositions TRANSFORM PHARMACEUTICALS, INC (US) 2010-12-09 US disclosed
US-20070059356-A1 Pharmaceutical co-crystal compositions of drugs such as carbamazepine, celecoxib, olanzapine, itraconazole, topiramate, modafinil, 5-fluorouracil, hydrochlorothiazide, acetaminophen, aspirin, flurbiprofen, phenytoin and ibuprofen REGENTS OF THE UNIVERSITY OF MICHIGAN, THE 2007-03-15 US disclosed
US-20070026078-A1 Pharmaceutical co-crystal compositions TRANSFORM PHARMACEUTICALS, INC. (US) 2007-02-01 US disclosed
EP-1631260-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2006-03-08 EP disclosed
EP-1608339-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2005-12-28 EP disclosed
WO-2004078161-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPTINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 WO disclosed
WO-2004078163-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 WO disclosed