SCHEMBL6238864

SCHEMBL6238864

CCCCCCCOc1cc2c(cc1Cc1ccc(C(=O)OC)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.48
HNF4A P41235 3/20 0.48
CYP3A4 P08684 3/20 0.47
PPARG P37231 1/20 0.47
NR1H3 Q13133 1/20 0.47
THRA P10827 1/20 0.46
CYP26A1 O43174 2/20 0.44
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42

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
SCHEMBL6245896 0.97 RXRA (0.51) RXRAHNF4ACYP3A4PPARGNR1H3
SCHEMBL6237264 0.93 RXRA (0.51) RXRAHNF4ACYP3A4CYP26A1RXRB
SCHEMBL6244973 0.89 RXRA (0.61) RXRAHNF4APPARGNR1H3RXRB
SCHEMBL6238178 0.88 RXRA (0.56) RXRAHNF4ACYP3A4CYP26A1RXRB
SCHEMBL6241810 0.86 RXRA (0.65) RXRAHNF4APPARGNR1H3RXRB
SCHEMBL6236296 0.84 RXRA (0.55) RXRAHNF4ACYP3A4CYP26A1RXRB
SCHEMBL6240822 0.81 RXRA (0.65) RXRAHNF4ACYP3A4CYP26A1RXRB
SCHEMBL6240226 0.81 RXRA (0.51) RXRAHNF4ACYP3A4PPARGCYP26A1
SCHEMBL6241202 0.79 RXRA (0.56) RXRAHNF4ACYP3A4CYP26A1RXRB
SCHEMBL6903012 0.79 RXRA (0.74) RXRACYP3A4CYP26A1RXRBRXRG

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-2005017185-A2 HEPATOCYTE NUCLEAR FACTOR 4α MODULATOR COMPOUNDS LIGAND PHARMCEUTICALS INCORPORATED (US) 2005-02-24 WO disclosed