SCHEMBL9080504

SCHEMBL9080504

O=C(O)c1ccc(C(=O)O)c(NC(=O)N(Cc2ccccc2)Cc2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 8/20 0.50
▸ LPAR5 Q9H1C0 7/20 0.50
▸ PTGES O14684 2/20 0.50
▸ SRD5A2 P31213 1/20 0.49
▸ STAT3 P40763 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ KDM4C Q9H3R0 1/20 0.46
▸ ABCC1 P33527 1/20 0.46

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
SCHEMBL9080556 0.91 SERPINE1 (0.53) LPAR1LPAR5PTGESSRD5A2STAT3
SCHEMBL9080051 0.87 ABCC1 (0.51) LPAR1LPAR5PTGESSTAT3ALDH1A1
SCHEMBL9081514 0.85 KDM4E (0.66) LPAR1LPAR5PTGESALDH1A1KDM4E
SCHEMBL9081830 0.82 LPAR1 (0.57) LPAR1LPAR5PTGESSRD5A2STAT3
SCHEMBL9081195 0.82 LPAR1 (0.57) LPAR1LPAR5PTGESSRD5A2STAT3
SCHEMBL9082681 0.82 MEN1 (0.57) SRD5A2ALDH1A1KDM4ELMNAKDM4C
SCHEMBL9081384 0.81 ALDH1A1 (0.56) PTGESALDH1A1NPSR1LTA4H
SCHEMBL9080833 0.81 ABCC1 (0.46) LPAR1LPAR5PTGESSRD5A2STAT3
SCHEMBL9082212 0.81 ALDH1A1 (0.58) LPAR1LPAR5PTGESSRD5A2ALDH1A1
SCHEMBL9082700 0.80 ABCC1 (0.45) LPAR1LPAR5PTGESSTAT3ALDH1A1

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
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