SCHEMBL8332402

SCHEMBL8332402

CC1(C)CCC(C)(C)c2cc([C@]3(C)C[C@@H]3C=O)ccc21

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.60
RXRB P28702 10/20 0.60
RXRG P48443 10/20 0.60
RARB P10826 6/20 0.60
RARG P13631 5/20 0.60
RARA P10276 4/20 0.60
PPARG P37231 1/20 0.60
CYP26B1 Q9NR63 4/20 0.42
CYP26A1 O43174 4/20 0.42
CYP3A4 P08684 1/20 0.40

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
SCHEMBL21018213 1.00 RXRA (0.60) RXRARXRBRXRGRARBRARG
SCHEMBL21017021 1.00 RXRA (0.60) RXRARXRBRXRGRARBRARG
SCHEMBL8331809 1.00 RXRA (0.60) RXRARXRBRXRGRARBRARG
SCHEMBL8340501 0.82 RXRA (0.52) RXRARXRBRXRGRARBRARG
SCHEMBL14437921 0.77 RXRA (0.61) RXRARXRBRXRGRARBRARG
SCHEMBL6756523 0.77 PTGS1 (0.43) RXRARXRBRXRGRARBRARG
SCHEMBL25766798 0.76 RXRA (0.85) RXRARXRBRXRGRARBRARG
Irx-4204 SCHEMBL24767436 0.76 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL6222453 0.76 RXRA (0.46) RXRARXRBRXRGRARBRARG
Irx-4204 SCHEMBL3437269 0.76 RXRA (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5917082-A 2,4-pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN SALES, INC. (US) 1999-06-29 US disclosed
WO-1999008992-A1 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1999-02-25 WO disclosed