SCHEMBL8529271

SCHEMBL8529271

CC(C=CC(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.57
RXRB P28702 6/20 0.57
RARA P10276 8/20 0.52
RARB P10826 8/20 0.52
RARG P13631 8/20 0.52
CYP26A1 O43174 3/20 0.50
CYP26B1 Q9NR63 2/20 0.46
CYP3A4 P08684 2/20 0.46
RXRG P48443 4/20 0.45

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
SCHEMBL7897270 0.82 RXRA (0.47) RXRARXRBRARARARBRARG
SCHEMBL6146556 0.79 RARB (0.78) RXRARXRBRARARARBRARG
SCHEMBL6145030 0.79 RARB (0.78) RXRARXRBRARARARBRARG
SCHEMBL6144896 0.79 RXRA (0.54) RXRARXRBRARARARBRARG
SCHEMBL6144891 0.79 RXRA (0.54) RXRARXRBRARARARBRARG
SCHEMBL6143604 0.77 RXRA (0.64) RXRARXRBRARARARBRARG
SCHEMBL6143601 0.77 RXRA (0.64) RXRARXRBRARARARBRARG
SCHEMBL8458521 0.76 RXRA (0.66) RXRARXRBRARARARBRARG
SCHEMBL8458523 0.76 RXRA (0.66) RXRARXRBRARARARBRARG
SCHEMBL7756578 0.76 RXRA (0.58) RXRARXRBRARARARBRARG

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
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
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