SCHEMBL9079846

SCHEMBL9079846

O=C(O)c1ccc(N(Cc2ccccc2)C(=O)Cc2ccc(Oc3ccccc3)cc2)cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 6/20 0.58
NR3C1 P04150 2/20 0.55
LTB4R2 Q9NPC1 2/20 0.54
RNF4 P78317 1/20 0.51
CNR2 P34972 1/20 0.48
PTGES O14684 3/20 0.47
ALOX5 P09917 2/20 0.47
POLB P06746 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
NPY5R Q15761 1/20 0.42
SRD5A2 P31213 1/20 0.42

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
SCHEMBL9081600 0.86 RNF4 (0.53) STAT3NR3C1LTB4R2RNF4CNR2
SCHEMBL9081184 0.81 NR3C1 (0.49) STAT3NR3C1PTGESPOLBSRD5A2
SCHEMBL9079799 0.78 POLB (0.51) STAT3NR3C1PTGESPOLBSRD5A2
SCHEMBL9081335 0.78 STAT3 (0.49) STAT3NR3C1PTGESPOLB
SCHEMBL17076869 0.78 STAT3 (0.86) STAT3PTGESALOX5
SCHEMBL9080906 0.77 LPAR1 (0.58) STAT3PTGESPOLB
SCHEMBL9080531 0.76 TSHR (0.55) STAT3NR3C1
SCHEMBL9081215 0.76 TSHR (0.55) STAT3NR3C1
SCHEMBL9080371 0.76 TSHR (0.55) STAT3NR3C1
SCHEMBL9081721 0.76 TSHR (0.55) STAT3NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996034851-A1 BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 WO disclosed