SCHEMBL7922973

SCHEMBL7922973

C=CC(c1ccc(NC(=O)C(F)(F)F)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.44
RARG P13631 10/20 0.44
RARA P10276 10/20 0.44
CYP26A1 O43174 6/20 0.44
CYP3A4 P08684 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
RXRA P19793 2/20 0.42
RXRB P28702 1/20 0.42
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
TBXA2R P21731 1/20 0.41
BLVRB P30043 1/20 0.41
CYP26B1 Q9NR63 3/20 0.40

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
SCHEMBL6345181 0.81 RARB (0.58) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7929448 0.80 NPC1 (0.43) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7949336 0.77 RXRA (0.69) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7951095 0.75 RARB (0.37) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7951094 0.75 RARB (0.37) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7922809 0.73 RXRA (0.43) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7922980 0.73 RXRA (0.36) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7922977 0.73 RXRA (0.36) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7923066 0.73 RXRA (0.36) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7931062 0.70 RXRA (0.40) RARBRARGRARACYP26A1CYP3A4

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 4 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
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