SCHEMBL10708129

SCHEMBL10708129

CCCCc1ccc(OC(=O)Oc2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.55
FAAH O00519 3/20 0.55
THRA P10827 1/20 0.52
HPGD P15428 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 1/20 0.49
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
RARB P10826 1/20 0.45
PLK1 P53350 1/20 0.45

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
SCHEMBL10707070 0.95 THRB (0.61) THRBFAAHTHRAALDH1A1HSD17B10
SCHEMBL10709883 0.94 THRB (0.61) THRBFAAHTHRAALDH1A1HSD17B10
SCHEMBL233924 0.92 THRB (0.63) THRBFAAHTHRAHPGDALDH1A1
SCHEMBL10708974 0.88 THRB (0.60) THRBTHRAHPGDALDH1A1HSD17B10
SCHEMBL10706439 0.88 THRB (0.69) THRBFAAHTHRAHPGDALDH1A1
SCHEMBL10707778 0.88 THRB (0.52) THRBFAAHTHRAHPGDALDH1A1
SCHEMBL17472998 0.87 THRB (0.68) THRBFAAHTHRAHPGDALDH1A1
SCHEMBL10707176 0.87 THRB (0.68) THRBFAAHTHRAHPGDALDH1A1
SCHEMBL237889 0.87 RARB (0.60) THRBTHRAHPGDALDH1A1HSD17B10
SCHEMBL17473161 0.87 THRB (0.68) THRBFAAHTHRAHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0184012-B1 LIQUID CRYSTAL COMPOSITIONS BAYER AG (DE) 1988-01-07 EP disclosed
EP-0184012-A1 Liquid crystal compositions BAYER AG (DE) 1986-06-11 EP disclosed