SCHEMBL8907608

SCHEMBL8907608

C=Cc1ccc(C(=O)OC)cc1CCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.45
PPARA Q07869 3/20 0.45
ATM Q13315 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 9/20 0.43
ALDH1A1 P00352 7/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
XDH P47989 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
SCHEMBL8907692 0.87 ERN1 (0.48) PPARGPPARAATML3MBTL1KMT2A
SCHEMBL12419937 0.80 PPARG (0.50) PPARGPPARAATML3MBTL1KMT2A
SCHEMBL30232935 0.78 CA1 (0.61) PPARGPPARAATML3MBTL1KMT2A
SCHEMBL15337170 0.78 PPARG (0.51) PPARGPPARAATML3MBTL1KMT2A
SCHEMBL542559 0.78 CA1 (0.61) PPARGPPARAATML3MBTL1KMT2A
SCHEMBL8906623 0.77 PPARG (0.48) PPARGPPARAATML3MBTL1KMT2A
SCHEMBL3543244 0.77 MAPT (0.55) PPARGPPARAATML3MBTL1KMT2A
SCHEMBL3273922 0.77 CCR6 (0.49) PPARGPPARAATML3MBTL1KMT2A
SCHEMBL20860850 0.77 ASIC3 (0.47) L3MBTL1KMT2AKDM4EALDH1A1HPGD
SCHEMBL15563640 0.76 CA1 (0.62) ATML3MBTL1KMT2AMEN1KDM4E

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
US-5686478-A Endothelin antagonists MERCK & CO. INC. (US) 1997-11-11 US disclosed
EP-0710235-A4 1996-06-12 EP disclosed
EP-0710235-A1 ENDOTHELIN ANTAGONISTS MERCK & CO. INC. (US) 1996-05-08 EP disclosed
WO-1995003295-A1 ENDOTHELIN ANTAGONISTS MERCK & CO., INC. (US) 1995-02-02 WO disclosed