SCHEMBL8890110

SCHEMBL8890110

CCCCCCCOc1cc2c(cc1CC=O)C(C)(C)CCC2(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.47
PPARG P37231 1/20 0.47
NR1H3 Q13133 1/20 0.47
HNF4A P41235 4/20 0.43
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CNR2 P34972 1/20 0.35

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
SCHEMBL8889384 1.00 RXRA (0.47) RXRAPPARGNR1H3HNF4ARARA
SCHEMBL8889198 0.99 RXRA (0.46) RXRAPPARGNR1H3HNF4ARARA
SCHEMBL727912 0.91 RXRA (0.46) RXRAPPARGNR1H3HNF4ARARA
SCHEMBL7156085 0.85 RXRA (0.48) RXRAHNF4ARARARARBRARG
SCHEMBL7207907 0.80 RXRA (0.47) RXRAPPARGNR1H3HNF4ARARA
SCHEMBL6917266 0.80 RXRA (0.46) RXRAPPARGNR1H3HNF4ARARA
SCHEMBL6918206 0.79 RXRA (0.47) RXRAPPARGNR1H3HNF4ARARA
SCHEMBL6017468 0.79 RXRA (0.43) RXRAHNF4ARARARARBRARG
SCHEMBL8890044 0.78 RXRA (0.35) RXRAPPARGHNF4ARARARARB
SCHEMBL8887720 0.77 RXRA (0.47) RXRAPPARGNR1H3HNF4ARARA

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
WO-1997012853-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-04-10 WO disclosed