SCHEMBL8935922

SCHEMBL8935922

CC[C@H](Oc1ccc(C(C)C)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.61
PPARA Q07869 17/20 0.52
PPARG P37231 16/20 0.52
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 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
SCHEMBL4030805 1.00 SMN1; SMN2 (0.61) SMN1; SMN2PPARAPPARGRXRARXRB
SCHEMBL3028298 0.84 PPARA (0.68) SMN1; SMN2PPARAPPARG
SCHEMBL8935879 0.84 PPARA (0.68) SMN1; SMN2PPARAPPARG
SCHEMBL442891 0.84 SMN1; SMN2 (0.63) SMN1; SMN2PPARAPPARG
SCHEMBL1565487 0.84 PPARA (0.55) SMN1; SMN2PPARAPPARG
SCHEMBL11550284 0.84 SMN1; SMN2 (0.67) SMN1; SMN2PPARAPPARG
SCHEMBL21991991 0.82 PPARG (0.66) SMN1; SMN2PPARAPPARGTSHR
SCHEMBL8935844 0.82 SMN1; SMN2 (0.70) SMN1; SMN2PPARAPPARG
SCHEMBL433427 0.82 SMN1; SMN2 (0.65) SMN1; SMN2PPARAPPARG
SCHEMBL8935859 0.82 SMN1; SMN2 (0.70) SMN1; SMN2PPARAPPARG

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
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed