SCHEMBL9350317

SCHEMBL9350317

CC1(C)CCC(C)(C)c2cc(OCc3ccc(C(=O)O)s3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.50
RXRB P28702 7/20 0.50
RXRG P48443 7/20 0.50
RARB P10826 5/20 0.50
RARG P13631 5/20 0.50
RARA P10276 4/20 0.50
PPARG P37231 3/20 0.49
CYP26A1 O43174 7/20 0.48
CYP3A4 P08684 6/20 0.48
CYP26B1 Q9NR63 4/20 0.48
MRGPRX4 Q96LA9 1/20 0.46

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
SCHEMBL8839029 0.82 RXRA (0.56) RXRARXRBRXRGRARBRARG
SCHEMBL8674842 0.75 RXRA (0.68) RXRARXRBRXRGRARBRARG
SCHEMBL9360554 0.73 RXRA (0.50) RXRARXRBRXRGRARBRARG
SCHEMBL7720638 0.72 RXRA (0.61) RXRARXRBRXRGRARBRARG
SCHEMBL1756396 0.72 NR4A2 (0.62) PPARGMRGPRX4
SCHEMBL8676840 0.70 RXRB (0.71) RXRARXRBRXRGRARBRARG
SCHEMBL8839079 0.70 CYP26A1 (0.85) RXRARXRBRXRGRARBRARG
SCHEMBL8907781 0.70 MAOB (0.53) RXRARXRBRXRGRARBRARG
SCHEMBL8320121 0.70 RXRA (0.69) RXRARXRBRXRGRARBRARG
SCHEMBL8675765 0.69 PPARG (0.54) RXRARXRBRXRGPPARGCYP26A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552282-B1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS CIRD GALDERMA (FR) 1994-08-24 EP disclosed
EP-0552282-A1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS. CIRD GALDERMA (FR) 1993-07-28 EP disclosed
WO-1992006948-A1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-04-30 WO disclosed