SCHEMBL8102485

SCHEMBL8102485

CC1(C)CCC(C)(C)c2cc(N(C(=O)CC(=O)O)c3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.64
RXRB P28702 13/20 0.64
RXRG P48443 9/20 0.64
RARB P10826 8/20 0.56
RARG P13631 8/20 0.56
RARA P10276 6/20 0.53
CYP26A1 O43174 3/20 0.53
CYP3A4 P08684 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
PGR P06401 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
TBXA2R P21731 1/20 0.53
BLVRB P30043 1/20 0.53

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
SCHEMBL8102435 0.90 RXRA (0.61) RXRARXRBRXRGRARBRARG
SCHEMBL8100910 0.89 RXRA (0.60) RXRARXRBRXRGRARBRARG
SCHEMBL5080288 0.89 RXRA (0.65) RXRARXRBRXRGRARBRARG
SCHEMBL8093051 0.88 RXRA (0.64) RXRARXRBRXRGRARBRARG
SCHEMBL5084705 0.88 RXRA (0.64) RXRARXRBRXRGRARBRARG
SCHEMBL8100639 0.86 RXRA (0.59) RXRARXRBRXRGRARBRARG
SCHEMBL8839060 0.84 RXRA (0.66) RXRARXRBRXRGRARBRARG
SCHEMBL8555475 0.81 RXRA (0.49) RXRARXRBRXRGRARBRARG
SCHEMBL8839175 0.80 RXRA (0.64) RXRARXRBRXRGRARBRARG
SCHEMBL17049076 0.78 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
EP-0661260-B1 New bi-aromatic compounds derived from amides pharmaceutical compositions and cosmetic compositions containing them and their use CIRD GALDERMA (FR) 1997-03-12 EP claimed
US-6051243-A USEFUL IN THE TOPICAL AND SYSTEMIC TREATMENT OF DERMATOLOGICAL CONDITIONS ASSOCIATED WITH A KERATINIZATION DISORDER, DERMATOLOGICAL CONDITIONS (AND THE LIKE) INCLUDING AN INFLAMMATORY AND/OR IMMUNOALLERGIC COMPONENT CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-04-18 US disclosed