SCHEMBL8459677

SCHEMBL8459677

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.42
RXRA P19793 9/20 0.41
RXRB P28702 9/20 0.41
RXRG P48443 7/20 0.41
RARB P10826 7/20 0.40
RARG P13631 7/20 0.40
RARA P10276 6/20 0.40
CYP26A1 O43174 5/20 0.39
SNCA P37840 1/20 0.39
CYP26B1 Q9NR63 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL8457432 0.90 CYP3A4 (0.42) CYP3A4RXRARXRBRXRGRARB
SCHEMBL8460532 0.87 RXRA (0.40) CYP3A4RXRARXRBRXRGRARB
SCHEMBL8458322 0.87 CYP3A4 (0.43) CYP3A4RXRARXRBRXRGRARB
SCHEMBL8460835 0.84 CYP3A4 (0.55) CYP3A4RXRARXRBRXRGRARB
SCHEMBL8456002 0.83 HNF4A (0.40) CYP3A4RXRARXRBRXRGRARB
SCHEMBL8458177 0.82 RXRA (0.39) CYP3A4RXRARXRBRXRGRARB
SCHEMBL8839222 0.80 RXRA (0.50) CYP3A4RXRARXRBRXRGRARB
SCHEMBL9255914 0.78 RXRA (0.48) CYP3A4RXRARXRBRXRGRARB
SCHEMBL8458134 0.78 CYP26A1 (0.65) CYP3A4RXRARXRBRXRGRARB
SCHEMBL8459684 0.77 CYP3A4 (0.43) CYP3A4RXRARXRBRXRGRARB

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
US-5869067-A TREATING DERMATOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1999-02-09 US claimed
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