SCHEMBL9698293

SCHEMBL9698293

CC1(C)CCC(C)(C)c2cc(C(=O)OOc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.66
RXRB P28702 9/20 0.66
RXRG P48443 7/20 0.66
RARB P10826 10/20 0.65
RARG P13631 9/20 0.65
CYP26A1 O43174 6/20 0.62
CYP3A4 P08684 4/20 0.62
CYP26B1 Q9NR63 3/20 0.62
RARA P10276 7/20 0.62
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
CRABP2 P29373 1/20 0.57

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
SCHEMBL9165893 0.89 RXRA (0.69) RXRARXRBRXRGRARBRARG
SCHEMBL9175151 0.83 RXRA (0.74) RXRARXRBRXRGRARBRARG
SCHEMBL29827631 0.82 RARB (0.81) RXRARXRBRXRGRARBRARG
SCHEMBL846110 0.82 RARB (0.81) RXRARXRBRXRGRARBRARG
Hydrochloric Acid SCHEMBL9120757 0.80 RARB (0.78) RXRARXRBRXRGRARBRARG
SCHEMBL9595211 0.80 RARB (0.60) RXRARXRBRXRGRARBRARG
SCHEMBL9551753 0.80 RXRA (0.57) RXRARXRBRXRGRARBRARG
SCHEMBL7720657 0.80 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL9319026 0.79 RXRA (0.77) RXRARXRBRXRGRARBRARG
SCHEMBL10355871 0.79 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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