SCHEMBL7756560

SCHEMBL7756560

C=C(c1cc2c(cc1C)C(C)(C)CCC2(C)C)c1ccccc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 0.71
RXRB P28702 10/20 0.71
RXRG P48443 10/20 0.71
RARB P10826 5/20 0.71
RARG P13631 4/20 0.71
RARA P10276 2/20 0.71
MEN1 O00255 1/20 0.71
CYP26A1 O43174 1/20 0.71
ABCB11 O95342 1/20 0.71
ESR1 P03372 1/20 0.71
PGR P06401 1/20 0.71
HTR1A P08908 1/20 0.71
ADRA2A P08913 1/20 0.71
ADORA3 P0DMS8 1/20 0.71
CHRM1 P11229 1/20 0.71
DRD1 P21728 1/20 0.71
TBXA2R P21731 1/20 0.71
SLC6A2 P23975 1/20 0.71
ADRA1A P35348 1/20 0.71
OPRM1 P35372 1/20 0.71

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
SCHEMBL7889468 0.86 RXRA (0.60) RXRARXRBRXRGRARBRARG
SCHEMBL6901726 0.86 RXRA (0.69) RXRARXRBRXRGRARBRARG
SCHEMBL8695591 0.85 RXRA (0.70) RXRARXRBRXRGRARBRARG
SCHEMBL16926946 0.85 RXRA (0.78) RXRARXRBRXRGRARBRARG
SCHEMBL8331490 0.85 RXRA (0.70) RXRARXRBRXRGRARBRARG
SCHEMBL16926725 0.84 RXRA (0.67) RXRARXRBRXRGRARBRARG
SCHEMBL8333900 0.84 RXRA (0.70) RXRARXRBRXRGRARBRARG
SCHEMBL7761577 0.83 RXRA (0.70) RXRARXRBRXRGRARBRARG
SCHEMBL4450645 0.83 RXRA (0.80) RXRARXRBRXRGRARBRARG
Bexarotene SCHEMBL5322954 0.83 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915823-B1 BI-AROMATIC COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES CT INTERNAT DE (FR) 2001-04-18 EP disclosed
WO-2000026172-A1 TRIENOIC RETINOID COMPOUNDS AS RETINOIC ACID RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-05-11 WO disclosed
US-5962731-A MODIFY LIPID METABOLISM; SKIN DISORDERS,; AUTOIMMUNE DISEASES; FATTY ACID METABOLISM; ANTITUMOR AGENTS LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-10-05 US disclosed
EP-0915823-A1 BI-AROMATIC COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1999-05-19 EP disclosed
US-5837725-A Bridged bicyclic aromatic compounds and their use in modulating gene expression of retinoid receptors SRI INTERNATIONAL (US) 1998-11-17 US disclosed
US-5780676-A BICYCLIC BENZYL, PYRIDINYL, THIOPHENE, FURANYL, PYRROLE, AND POLYENOIC ACID DERIVATIVES LIGAND PHARMACEUTICALS INCORPORATED (US) 1998-07-14 US disclosed
WO-1998022423-A1 BI-AROMATIC COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-05-28 WO disclosed