SCHEMBL7922989

SCHEMBL7922989

C=CC(c1ccc(-n2nnnc2C(F)(F)F)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
RXRA P19793 2/20 0.32
RXRB P28702 1/20 0.32
TACR1 P25103 2/20 0.31
RARA P10276 4/20 0.31
RARB P10826 4/20 0.31
RARG P13631 4/20 0.31
NOTUM Q6P988 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
SCHEMBL7947547 0.71 RXRA (0.31) RXRARXRBRARARARBRARG
SCHEMBL7922809 0.70 RXRA (0.43) ALDH1A1RXRARXRBRARARARB
SCHEMBL7922977 0.70 RXRA (0.36) RXRARXRBRARARARBRARG
SCHEMBL7923066 0.70 RXRA (0.36) RXRARXRBRARARARBRARG
SCHEMBL7922980 0.70 RXRA (0.36) RXRARXRBRARARARBRARG
SCHEMBL7951095 0.68 RARB (0.37) RXRARXRBRARARARBRARG
SCHEMBL7951094 0.68 RARB (0.37) RXRARXRBRARARARBRARG
SCHEMBL7922973 0.68 RARB (0.44) ALDH1A1MAPTRXRARXRBRARA
SCHEMBL7931062 0.67 RXRA (0.40) ALDH1A1MAPTHPGDRXRARXRB
SCHEMBL7949336 0.66 RXRA (0.69) RXRARXRBRARARARBRARG

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 6 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 claimed
US-6265423-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE EUROPEEN DE BIOPROSPECTIVE-CEB (FR) 2001-07-24 US claimed
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