SCHEMBL4616489

SCHEMBL4616489

C=CC(CC)C(=O)OC(=O)c1ccccc1C(=O)OC(=O)C(C=C)CC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.49
CYP3A4 P08684 4/20 0.49
ALDH1A1 P00352 8/20 0.46
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CA2 P00918 1/20 0.43
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 2/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.38
CDC25B P30305 1/20 0.37

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
SCHEMBL766470 0.75 ATM (0.45) TSHRALDH1A1TDP1L3MBTL1
SCHEMBL5584048 0.75 CYP3A4 (0.46) TSHRCYP3A4ALDH1A1TDP1L3MBTL1
Phthalic Acid SCHEMBL368309 0.75 ALDH1A1 (0.50) ALDH1A1TDP1CA2HSD17B10
SCHEMBL616964 0.74 ALDH1A1 (0.51) TSHRCYP3A4ALDH1A1TDP1L3MBTL1
SCHEMBL26136363 0.73 CYP3A4 (0.44) TSHRCYP3A4ALDH1A1TDP1L3MBTL1
SCHEMBL9058770 0.72 KDM4E (0.44) TSHRALDH1A1TDP1CA2LMNA
SCHEMBL27760221 0.72 ALDH1A1 (0.51) TSHRCYP3A4ALDH1A1TDP1L3MBTL1
SCHEMBL16672577 0.72 HCAR2 (0.49) ALDH1A1L3MBTL1LMNA
SCHEMBL16672924 0.72 MAPT (0.43) CYP3A4ALDH1A1TDP1L3MBTL1CA2
SCHEMBL28233583 0.71 TSHR (0.57) TSHRCYP3A4ALDH1A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140212490-A1 TABLET FOR PULSED DELIVERY SHIONOGI INC. (US) 2014-07-31 US disclosed
US-8715727-B2 Tablet for pulsed delivery SHIONOGI INC. (US) 2014-05-06 US disclosed
EP-1771158-A4 TABLET FOR PULSED DELIVERY ADVANCIS PHARMACEUTICAL CORP (US) 2008-03-12 EP disclosed
EP-1771158-A1 TABLET FOR PULSED DELIVERY Advancis Pharmaceutical Corporation (US) 2007-04-11 EP disclosed
WO-2006014427-A1 TABLET FOR PULSED DELIVERY ADVANCIS PHARMACEUTICAL CORPORATION (US) 2006-02-09 WO disclosed
US-20060003005-A1 Tablet for pulsed delivery SHIONOGI INC. 2006-01-05 US disclosed