SCHEMBL7922983

SCHEMBL7922983

C=CC(c1ccc(C#N)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.43
HNF4A P41235 3/20 0.33
RXRB P28702 7/20 0.32
RXRG P48443 7/20 0.32
RARA P10276 6/20 0.32
RARB P10826 6/20 0.32
RARG P13631 6/20 0.32
CYP26A1 O43174 3/20 0.32
MEN1 O00255 1/20 0.32
ABCB11 O95342 1/20 0.32
ESR1 P03372 1/20 0.32
PGR P06401 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL7931062 0.84 RXRA (0.40) RXRARXRBRXRGRARARARB
SCHEMBL7931172 0.79 RXRA (0.70) RXRAHNF4ARXRBRXRGRARA
SCHEMBL7931982 0.74 RXRA (0.42) RXRAHNF4ARXRBRXRGRARA
SCHEMBL7929406 0.74 RXRA (0.38) RXRAHNF4A
SCHEMBL7922997 0.73 RXRA (0.52) RXRAHNF4ARXRBRXRGRARA
SCHEMBL7929331 0.71 RARB (0.38) RXRARXRBRXRGRARARARB
SCHEMBL7929330 0.71 RARB (0.38) RXRARXRBRXRGRARARARB
SCHEMBL7941372 0.70 RXRA (0.43) RXRAHNF4ARXRBRXRGRARA
SCHEMBL3185896 0.69 RXRA (0.67) RXRARXRBRXRGRARARARB
SCHEMBL9484150 0.68 RXRA (0.42) RXRARXRBRXRGRARARARB

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-0879223-B1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS CT EUROP DE BIOPROSPECTIVE CEB (FR) 2001-11-07 EP disclosed
US-6265423-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE EUROPEEN DE BIOPROSPECTIVE-CEB (FR) 2001-07-24 US disclosed