SCHEMBL5908087

SCHEMBL5908087

CCCCOc1c(C(=O)O)cc(C)cc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.47
PPARG P37231 3/20 0.47
CNR2 P34972 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
PLK1 P53350 2/20 0.41
RARG P13631 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK8 P45983 1/20 0.40

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
SCHEMBL7792928 0.87 RXRA (0.44) RXRAPPARGRARGKDM4EALDH1A1
SCHEMBL7796467 0.79 HSD17B10 (0.45) RXRAPPARGRARGKDM4EALDH1A1
SCHEMBL27747426 0.78 KMT2A (0.44) CNR2PLK1THRATHRBKDM4E
SCHEMBL8075040 0.77 THRA (0.40) RXRAPPARGCNR2THRATHRB
SCHEMBL15861939 0.76 PLA2G2A (0.43) THRATHRB
SCHEMBL10269539 0.75 PTPN11 (0.47) RXRATHRATHRBKDM4EALDH1A1
SCHEMBL6606945 0.74 RXRA (0.61) RXRAPPARGRARG
SCHEMBL9189283 0.74 RXRA (0.54) RXRAPPARGCNR2RARGTHRA
SCHEMBL25788096 0.74 PLA2G2A (0.60) THRATHRBALDH1A1
SCHEMBL13952960 0.73 PLA2G2A (0.56) CNR2THRATHRBKDM4ENPC1

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
US-20060024601-A1 Electrophotographic toner SHARP KABUSHIKI KAISHA (JP) 2006-02-02 US disclosed