SCHEMBL7922980

SCHEMBL7922980

C=CC(c1ccc(/N=[C]/C(F)(F)F)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.36
RXRB P28702 2/20 0.36
RARB P10826 7/20 0.34
RARG P13631 7/20 0.34
RARA P10276 6/20 0.34
CYP26A1 O43174 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP26B1 Q9NR63 1/20 0.32
RXRG P48443 1/20 0.30

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
SCHEMBL7923066 1.00 RXRA (0.36) RXRARXRBRARBRARGRARA
SCHEMBL7922977 1.00 RXRA (0.36) RXRARXRBRARBRARGRARA
SCHEMBL7951095 0.80 RARB (0.37) RXRARXRBRARBRARGRARA
SCHEMBL7951094 0.80 RARB (0.37) RXRARXRBRARBRARGRARA
SCHEMBL7922809 0.76 RXRA (0.43) RXRARXRBRARBRARGRARA
SCHEMBL7931062 0.76 RXRA (0.40) RXRARXRBRARBRARGRARA
SCHEMBL7922973 0.73 RARB (0.44) RXRARXRBRARBRARGRARA
SCHEMBL7949336 0.72 RXRA (0.69) RXRARXRBRARBRARGRARA
SCHEMBL7931972 0.70 RXRA (0.38) RXRARXRBRARBRARGRARA
SCHEMBL7922989 0.70 ALDH1A1 (0.33) RXRARXRBRARBRARGRARA

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
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
EP-0879223-A1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS Centre Europeen de Bioprospective -CEB (FR) 1998-11-25 EP disclosed
WO-1997026237-A1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS CENTRE EUROPEEN DE BIOPROSPECTIVE - CEB (FR) 1997-07-24 WO disclosed