SCHEMBL7797646

SCHEMBL7797646

CCOC(=O)C=C(Cc1ccc(OCc2ccccc2)cc1)c1ncc(C)s1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.48
NR1H4 Q96RI1 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.44
LTB4R Q15722 2/20 0.44
LTB4R2 Q9NPC1 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOB P27338 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL6490658 0.89 ALOX5 (0.49) ALOX5NR1H4PTGDR2LTB4RLTB4R2
SCHEMBL6502665 0.89 ALOX5 (0.49) ALOX5NR1H4PTGDR2LTB4RLTB4R2
SCHEMBL8370953 0.86 SMN1; SMN2 (0.44) LMNAALDH1A1MEN1NPC1KMT2A
SCHEMBL6490606 0.81 ALOX5 (0.54) ALOX5L3MBTL1PTGDR2LTB4RLTB4R2
SCHEMBL6490808 0.80 RAB9A (0.53) ALOX5NR1H4L3MBTL1LMNALTB4R
SCHEMBL6490812 0.80 RAB9A (0.53) ALOX5NR1H4L3MBTL1LMNALTB4R
SCHEMBL7803604 0.80 MMP13 (0.43) ALOX5NR1H4L3MBTL1LMNAPTGDR2
SCHEMBL16134420 0.78 MEN1 (0.43) NR1H4L3MBTL1LMNALTB4RLTB4R2
SCHEMBL16134436 0.77 MEN1 (0.43) NR1H4ALDH1A1MEN1KMT2AMAOB
SCHEMBL12894591 0.73 NR1H4 (0.58) ALOX5NR1H4L3MBTL1LMNALTB4R

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 3 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