SCHEMBL10429752

SCHEMBL10429752

CCC(C)COc1c(Br)ccc(-c2ccccc2)c1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
GPR88 Q9GZN0 7/20 0.36
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
TLR8 Q9NR97 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2D6 P10635 1/20 0.32
ADRB2 P07550 1/20 0.32
SCN4A P35499 2/20 0.32
LMNA P02545 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
SCHEMBL10429653 0.76 SOAT1 (0.49) ALOX5APFEN1KDM4E
SCHEMBL10447508 0.76 SOAT1 (0.49) ALOX5APFEN1KDM4E
SCHEMBL10349824 0.72 MCHR1 (0.45) FFAR1TLR8KDM4EPKMALDH1A1
SCHEMBL6827468 0.71 TLR8 (0.44) FFAR1GPR88TLR8KDM4EPKM
SCHEMBL27315842 0.71 ADRB2 (0.51) TLR8KDM4EPKMALDH1A1MAPK1
SCHEMBL2500159 0.69 FFAR1 (0.61) FFAR1GPR88TLR8GPBAR1CYP2D6
SCHEMBL28294103 0.69 FFAR1 (0.61) FFAR1GPR88TLR8GPBAR1CYP2D6
SCHEMBL9228387 0.69 ALOX5AP (0.41) FFAR1GPR88ALOX5APFEN1KDM4E
SCHEMBL9228385 0.69 ALOX5AP (0.41) FFAR1GPR88ALOX5APFEN1KDM4E
SCHEMBL15796988 0.68 FFAR1 (0.39) FFAR1GPR88TLR8KDM4EGPBAR1

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-0360042-A1 p-Terphenyl derivatives and liquid crystalline compositions KANTO KAGAKU KABUSHIKI KAISHA (JP) 1990-03-28 EP disclosed