SCHEMBL16959285

SCHEMBL16959285

C=C[C](C)c1cc(F)cc(CCCC)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 8/20 0.43
▸ THRA P10827 7/20 0.43
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTGS2 P35354 3/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ TYR P14679 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL16952286 0.90 THRB (0.40) THRBTHRAMEN1KMT2A
SCHEMBL16951604 0.89 THRB (0.49) THRBTHRANPC1HPGDMAPK1
SCHEMBL16957427 0.85 THRB (0.46) THRBTHRANPC1HPGDMAPK1
SCHEMBL16954686 0.84 THRB (0.45) THRBTHRANPC1HPGDMAPK1
SCHEMBL16952742 0.83 CACNA1H (0.31) —
SCHEMBL16951598 0.83 THRB (0.44) THRBTHRANPC1HPGDMAPK1
SCHEMBL16957869 0.83 THRB (0.44) THRBTHRANPC1HPGDMAPK1
SCHEMBL16955704 0.81 THRB (0.43) THRBTHRANPC1HPGDMAPK1
SCHEMBL16956667 0.81 THRB (0.40) THRBTHRANPC1HPGDMAPK1
SCHEMBL16952674 0.80 CYP4F2 (0.44) —

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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