SCHEMBL8325941

SCHEMBL8325941

N#Cc1ccc(CCCc2ccc(C(=O)O)cc2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
RARB P10826 6/20 0.42
FFAR1 O14842 3/20 0.42
ESR1 P03372 1/20 0.42
CYP19A1 P11511 1/20 0.42
ESR2 Q92731 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RARA P10276 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
AR P10275 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL8578235 0.84 RARB (0.53) PTGER1PTGER4PTGER3PTGER2RARB
SCHEMBL8323487 0.82 LMNA (0.50) PTGER1PTGER4PTGER3PTGER2ESR1
SCHEMBL11770480 0.81 RARB (0.56) RARBTAS2R14MEN1ALDH1A1RARA
SCHEMBL10817566 0.79 RARB (0.57) RARBTAS2R14MEN1ALDH1A1RARA
SCHEMBL8326500 0.78 PTGER1 (0.69) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL11297291 0.77 TAS2R14 (0.55) RARBFFAR1TAS2R14MEN1ALDH1A1
SCHEMBL8319817 0.75 PTGER1 (0.61) PTGER1PTGER4PTGER3PTGER2RARB
SCHEMBL133470 0.73 RARB (0.68) PTGER1PTGER4PTGER3PTGER2RARB
SCHEMBL25908752 0.73 AKR1B1 (0.47) FFAR1MAPTKDM4C
SCHEMBL8861208 0.72 NAMPT (0.48) FFAR1NAMPT

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-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed