SCHEMBL7812840

SCHEMBL7812840

CC1(C)CCC(C)(C)c2cc3c(cc21)OCC3(C)c1ccc(OC(=O)O)s1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.34
RXRB P28702 5/20 0.33
RXRG P48443 5/20 0.33
RARB P10826 4/20 0.33
RARG P13631 4/20 0.33
NR4A2 P43354 3/20 0.33
RARA P10276 3/20 0.33
HNF4A P41235 1/20 0.32
ABCB1 P08183 1/20 0.31
ABCC1 P33527 1/20 0.31

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
SCHEMBL8424636 0.82 RXRA (0.48) RXRARXRBRXRGRARBRARG
SCHEMBL7813388 0.77
SCHEMBL7816655 0.74 RARA (0.35) RXRARXRBRXRGRARBRARG
SCHEMBL7812219 0.73 RXRA (0.43) RXRARXRBRXRGRARBRARG
SCHEMBL7771303 0.71 RXRA (0.45) RXRARXRBRXRGRARBRARG
SCHEMBL7813057 0.71 PPARG (0.31) RXRARXRBRXRGNR4A2
SCHEMBL7813043 0.71 RARA (0.34) RXRARXRGRARBRARGNR4A2
SCHEMBL7806225 0.71 RARA (0.34) RXRARXRGRARBRARGNR4A2
SCHEMBL7808934 0.71 RXRA (0.58) RXRARXRBRXRGRARBRARG
SCHEMBL8423718 0.70 CYP3A4 (0.38) RXRARXRBRXRGRARBRARG

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
EP-0816352-B1 Bi-aryl heterocyclic compounds and their use in human or veterinary medicine and in cosmetics CT INTERNAT DE (FR) 2001-02-21 EP claimed