SCHEMBL7019809

SCHEMBL7019809

Cc1cc(C(=O)c2ccc(C(=O)O)nc2)c2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.56
RARB P10826 6/20 0.53
RARG P13631 6/20 0.53
RXRB P28702 6/20 0.53
RXRG P48443 6/20 0.53
RARA P10276 5/20 0.53
HNF4A P41235 3/20 0.48
PPARG P37231 2/20 0.46
MEN1 O00255 1/20 0.43
CYP26A1 O43174 1/20 0.43
ABCB11 O95342 1/20 0.43
ESR1 P03372 1/20 0.43
PGR P06401 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL6890125 0.87 RXRA (0.72) RXRARARBRARGRXRBRXRG
SCHEMBL2587641 0.84 RXRA (0.70) RXRARARBRARGRXRBRXRG
SCHEMBL6890738 0.78 RXRA (0.78) RXRARARBRARGRXRBRXRG
SCHEMBL12426169 0.75 RXRA (0.60) RXRARARBRARGRXRBRXRG
SCHEMBL9118713 0.75 P4HTM (0.56) RXRARARBRARGRARAMEN1
SCHEMBL12425773 0.75 RXRA (0.63) RXRARARBRARGRXRBRXRG
SCHEMBL1073659 0.75 RXRA (0.84) RXRARARBRARGRXRBRXRG
SCHEMBL28321598 0.74 RXRA (0.67) RXRARARBRARGRXRBRXRG
SCHEMBL5537885 0.74 RXRA (0.66) RXRARARBRARGRXRBRXRG
Hydrochloric Acid SCHEMBL28284311 0.73 RXRA (0.66) RXRARARBRARGRXRBRXRG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983991-B1 Compounds having selectivity for retinoid x receptors LIGAND PHARM INC (US) 2003-12-17 EP disclosed