SCHEMBL7929520

SCHEMBL7929520

C=CC(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(P(=O)(O)O)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.42
RXRB P28702 7/20 0.42
RARB P10826 15/20 0.37
RARG P13631 15/20 0.37
RARA P10276 13/20 0.37
RXRG P48443 5/20 0.36
CYP26A1 O43174 4/20 0.35
CYP3A4 P08684 4/20 0.35
CYP26B1 Q9NR63 1/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
PGR P06401 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
TBXA2R P21731 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
SCHEMBL7929418 0.81 RARB (0.50) RXRARXRBRARBRARGRARA
SCHEMBL7931972 0.80 RXRA (0.38) RXRARXRBRARBRARGRARA
SCHEMBL7931979 0.77 RARB (0.36) RXRARXRBRARBRARGRARA
SCHEMBL7949336 0.72 RXRA (0.69) RXRARXRBRARBRARGRARA
SCHEMBL7929435 0.71 RXRA (0.32) RXRARXRBRARBRARGRARA
SCHEMBL7922809 0.71 RXRA (0.43) RXRARXRBRARBRARGRARA
SCHEMBL7931062 0.68 RXRA (0.40) RXRARXRBRARBRARGRARA
SCHEMBL7923000 0.68 RXRA (0.49) RXRARXRBRARBRARGRARA
SCHEMBL7932924 0.67 RARA (0.55) RXRARXRBRARBRARGRARA
SCHEMBL7922973 0.66 RARB (0.44) 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 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