SCHEMBL9029796

SCHEMBL9029796

Cc1ccc(C2(C(=O)O)C=CC=CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CCR2 P41597 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
SRD5A2 P31213 1/20 0.32
LMNA P02545 1/20 0.31
CYP2C19 P33261 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
MCL1 Q07820 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MAOB P27338 3/20 0.30
MAOA P21397 1/20 0.30
CSNK2A1 P68400 1/20 0.30

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
SCHEMBL21331854 0.87 HSD11B1 (0.35) HSD11B1ALDH1A1SMN1; SMN2CCR2L3MBTL1
SCHEMBL9458297 0.85 APP (0.33) CYP2C19
Benzene SCHEMBL28354853 0.84 HDAC4 (0.41) HSD11B1LMNAOPRM1OPRL1
SCHEMBL4451679 0.84 HDAC4 (0.41) HSD11B1LMNAOPRM1OPRL1
SCHEMBL2783202 0.83 TSHR (0.40) ALDH1A1SMN1; SMN2CES2CES1SRD5A2
SCHEMBL9121052 0.83 HSD11B1 (0.35) HSD11B1L3MBTL1OPRM1
SCHEMBL1252354 0.80 KDM4E (0.34) SMN1; SMN2CYP2C19
SCHEMBL8429154 0.80 BCL2L1 (0.40) SRD5A2LMNA
SCHEMBL3836530 0.75 HDAC4 (0.39) HSD11B1OPRM1OPRL1
SCHEMBL28755670 0.74 HDAC4 (0.39) CCR2OPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542554-B1 Substituted N-biphenylyl lactams ORTHO PHARMA CORP (US) 1996-01-31 EP disclosed
US-5246940-A Angoitensin II receptor antagonist for hypertension, stroke or diabetes ORTHO PHARMACEUTICAL CORPORATION (US) 1993-09-21 US disclosed
EP-0542554-A1 Substituted N-biphenylyl lactams ORTHO PHARMACEUTICAL CORPORATION (US) 1993-05-19 EP disclosed
US-5182288-A Angiotensin II receptor antagonists ORTHO PHARMACEUTICAL CORPORATION (US) 1993-01-26 US disclosed