SCHEMBL9748654

SCHEMBL9748654

CC1(C)CCC(C)(C)c2cc(C(=NO)c3ccc4cc(CCC(=O)O)ccc4c3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP26B1 Q9NR63 8/20 0.57
CYP26A1 O43174 8/20 0.57
RARA P10276 8/20 0.53
RARB P10826 8/20 0.53
RARG P13631 8/20 0.53
CYP3A4 P08684 3/20 0.51
RXRA P19793 3/20 0.47
RXRB P28702 3/20 0.47
RXRG P48443 3/20 0.47

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
SCHEMBL9746403 0.83 RARB (0.75) CYP26B1CYP26A1RARARARBRARG
SCHEMBL5712126 0.83 RARB (0.75) CYP26B1CYP26A1RARARARBRARG
SCHEMBL5712098 0.83 RARB (0.75) CYP26B1CYP26A1RARARARBRARG
SCHEMBL21776768 0.80 CYP26B1 (0.83) CYP26B1CYP26A1RARARARBRARG
SCHEMBL29605538 0.80 CYP26B1 (0.83) CYP26B1CYP26A1RARARARBRARG
SCHEMBL10541851 0.80 RARB (0.58) CYP26B1CYP26A1RARARARBRARG
SCHEMBL16516895 0.78 CYP26B1 (0.71) CYP26B1CYP26A1RARARARBRARG
SCHEMBL9746770 0.77 RARA (0.52) CYP26B1CYP26A1RARARARBRARG
SCHEMBL9746767 0.77 RARA (0.52) CYP26B1CYP26A1RARARARBRARG
SCHEMBL9746761 0.77 RARB (0.53) CYP26B1CYP26A1RARARARBRARG

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-0220118-B1 BICYCLIC NAPHTHALENIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN HUMAN AND VETERINARY MEDICINE AND COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1992-01-02 EP claimed