SCHEMBL7307659

SCHEMBL7307659

CC1(COC(=O)Oc2ccccc2)COC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
ACACB O00763 1/20 0.39
GAA P10253 1/20 0.38
CYP2D6 P10635 2/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
ELANE P08246 1/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 2/20 0.35

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
SCHEMBL8309011 0.84 TSHR (0.39) L3MBTL1POLBATMGAACYP2D6
SCHEMBL5375326 0.79 LMNA (0.49) ALDH1A1KMT2ANPC1RAB9ATSHR
SCHEMBL12987206 0.79 EPHX1 (0.46) ACACBALDH1A1TSHR
SCHEMBL3048952 0.76 ACACB (0.44) ACACBALDH1A1TDP1
SCHEMBL17761641 0.75 L3MBTL1 (0.37) L3MBTL1ACACBGAAMAPTALDH1A1
SCHEMBL13896533 0.74 EPHX1 (0.41) ACACBCYP2D6SMN1; SMN2TSHR
SCHEMBL12987210 0.74 EPHX1 (0.44) ACACBTSHR
SCHEMBL13912719 0.74 MEN1 (0.33) L3MBTL1ACACBGAAALDH1A1KMT2A
SCHEMBL14839397 0.73 ESR1 (0.42) POLBATMACACBCYP2D6ALDH1A1
SCHEMBL25439858 0.73 FAAH (0.41) L3MBTL1MAPTALDH1A1KMT2ANPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0486948-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2000-10-04 EP disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
US-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP disclosed