SCHEMBL6533437

SCHEMBL6533437

CCOC(=O)CC(Cc1ccc(O)cc1)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.47
F2 P00734 4/20 0.47
PRSS1 P07477 1/20 0.47
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
FFAR1 O14842 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
MME P08473 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL6533433 1.00 F10 (0.47) F10F2PRSS1ESR1ESR2
SCHEMBL27532652 0.88 F10 (0.45) F10F2PRSS1FFAR1
SCHEMBL8329187 0.85 F2 (0.55) F10F2PRSS1ESR1ESR2
SCHEMBL6490642 0.82 MME (0.44) F10ESR1ESR2OPRM1OPRD1
SCHEMBL6490651 0.82 MME (0.44) F10ESR1ESR2OPRM1OPRD1
SCHEMBL11302961 0.81 MAPT (0.52) F10MAPTPOLBMAPK1FFAR1
SCHEMBL5847413 0.79 F10 (0.44) F10F2PRSS1MAPTPOLB
SCHEMBL7797656 0.79 ITGB3 (0.44) F10F2PRSS1ESR1ESR2
SCHEMBL6492125 0.79 ITGB3 (0.44) F10F2PRSS1ESR1ESR2
SCHEMBL5685475 0.78 MAPT (0.55) F10MAPTPOLBMAPK1FFAR1

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
CN-1236767-C Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2006-01-18 CN disclosed
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
CN-1377269-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-10-30 CN disclosed
EP-1218005-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-09 EP disclosed
EP-1218005-A2 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-07-03 EP disclosed
WO-2001017959-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-15 WO disclosed