SCHEMBL7947520

SCHEMBL7947520

CC1(C)CCC(C)(C)c2cc(C(=Cc3ccccc3)c3ccccc3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.59
RXRB P28702 6/20 0.59
RXRG P48443 4/20 0.59
RARB P10826 13/20 0.56
RARG P13631 12/20 0.56
RARA P10276 9/20 0.56
CYP26A1 O43174 3/20 0.56
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56
GMNN O75496 1/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
NFKB1 P19838 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL7949412 0.91 RXRA (0.71) RXRARXRBRXRGRARBRARG
SCHEMBL7949393 0.91 RXRA (0.53) RXRARXRBRXRGRARBRARG
SCHEMBL7929380 0.87 RARB (0.50) RXRARXRBRXRGRARBRARG
Temarotene SCHEMBL455747 0.84 RARG (0.77) RXRARXRBRXRGRARBRARG
Temarotene SCHEMBL5999341 0.84 RARG (0.77) RXRARXRBRXRGRARBRARG
Temarotene SCHEMBL7544424 0.84 RARG (0.77) RXRARXRBRXRGRARBRARG
Temarotene SCHEMBL29363514 0.84 RARG (0.77) RXRARXRBRXRGRARBRARG
SCHEMBL6925478 0.81 RXRA (0.66) RXRARXRBRXRGRARBRARG
SCHEMBL7929586 0.81 RARG (0.44) RXRARXRBRXRGRARBRARG
SCHEMBL7552109 0.80 RARB (0.53) 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
US-6265423-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE EUROPEEN DE BIOPROSPECTIVE-CEB (FR) 2001-07-24 US disclosed