SCHEMBL9079799

SCHEMBL9079799

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
NR3C1 P04150 2/20 0.50
PTGES O14684 3/20 0.49
SRD5A2 P31213 2/20 0.48
STAT3 P40763 2/20 0.46
FFAR1 O14842 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
LTA4H P09960 2/20 0.45
LPAR1 Q92633 1/20 0.45
LPAR5 Q9H1C0 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL9081184 0.84 NR3C1 (0.49) POLBNR3C1PTGESSRD5A2STAT3
SCHEMBL9080554 0.82 LPAR1 (0.49) POLBNR3C1PTGESSRD5A2STAT3
SCHEMBL9081408 0.81 POLB (0.50) POLBNR3C1PTGESSTAT3LPAR1
SCHEMBL9080906 0.81 LPAR1 (0.58) POLBPTGESSTAT3LPAR1LPAR5
SCHEMBL9080531 0.80 TSHR (0.55) NR3C1STAT3LPAR1LPAR5TSHR
SCHEMBL9080371 0.80 TSHR (0.55) NR3C1STAT3LPAR1LPAR5TSHR
SCHEMBL9081179 0.80 PTGES (0.59) NR3C1PTGESSRD5A2LPAR1LPAR5
SCHEMBL9081721 0.80 TSHR (0.55) NR3C1STAT3LPAR1LPAR5TSHR
SCHEMBL9081215 0.80 TSHR (0.55) NR3C1STAT3LPAR1LPAR5TSHR
SCHEMBL9079983 0.80 PPARG (0.51) POLBSRD5A2FFAR1LTA4H

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