SCHEMBL8460835

SCHEMBL8460835

COC(=O)c1ccc([N+](=CCl)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.55
CYP26A1 O43174 5/20 0.51
RXRA P19793 10/20 0.44
RXRB P28702 7/20 0.44
RXRG P48443 5/20 0.44
RARB P10826 12/20 0.43
RARG P13631 12/20 0.43
RARA P10276 10/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
TBXA2R P21731 1/20 0.41
BLVRB P30043 1/20 0.41

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
SCHEMBL8457026 0.88 CYP3A4 (0.58) CYP3A4CYP26A1RXRARXRBRXRG
SCHEMBL8459677 0.84 CYP3A4 (0.42) CYP3A4CYP26A1RXRARXRBRXRG
SCHEMBL8460292 0.81 RXRA (0.38) CYP3A4CYP26A1RXRARXRBRXRG
SCHEMBL2788640 0.79 CYP3A4 (0.70) CYP3A4CYP26A1RXRARXRBRXRG
SCHEMBL8460606 0.78 RXRA (0.35) CYP3A4CYP26A1RXRARXRBRXRG
SCHEMBL9319204 0.77 CYP3A4 (0.67) CYP3A4CYP26A1RXRARXRBRXRG
SCHEMBL7422927 0.77 RXRA (0.70) CYP3A4CYP26A1RXRARXRBRXRG
SCHEMBL1615332 0.76 RARB (0.72) CYP3A4CYP26A1RXRARXRBRXRG
SCHEMBL1615774 0.76 RARB (0.72) CYP3A4CYP26A1RXRARXRBRXRG
SCHEMBL1615329 0.76 RARB (0.72) CYP3A4CYP26A1RXRARXRBRXRG

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
US-5869067-A TREATING DERMATOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1999-02-09 US disclosed
US-5753239-A Bi-aromatic compounds and pharmaceutical and cosmetic compositions CENTRE INTERNATIONAL DE RECHERCHES DEMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1998-05-19 US disclosed