SCHEMBL7931982

SCHEMBL7931982

C=CC(c1ccc(C=O)nc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.42
RARB P10826 7/20 0.40
RARG P13631 7/20 0.40
RARA P10276 5/20 0.40
RXRB P28702 9/20 0.33
RXRG P48443 9/20 0.33
HNF4A P41235 3/20 0.33
PPARG P37231 2/20 0.33
CYP26A1 O43174 2/20 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

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
SCHEMBL7931988 0.86 RXRA (0.40) RXRARARBRARGRARARXRB
SCHEMBL7922997 0.83 RXRA (0.52) RXRARARBRARGRARARXRB
SCHEMBL7941372 0.80 RXRA (0.43) RXRARARBRARGRARARXRB
SCHEMBL7931172 0.75 RXRA (0.70) RXRARARBRARGRARARXRB
SCHEMBL7922983 0.74 RXRA (0.43) RXRARARBRARGRARARXRB
SCHEMBL7923059 0.71 RXRA (0.55) RXRARARBRARGRARARXRB
SCHEMBL13479212 0.71 RXRA (0.61) RXRARARBRARGRARARXRB
SCHEMBL7929406 0.70 RXRA (0.38) RXRAHNF4A
SCHEMBL7923000 0.70 RXRA (0.49) RXRARARBRARGRARARXRB
SCHEMBL13480473 0.69 RXRA (0.63) RXRARARBRARGRARARXRB

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