SCHEMBL16961108

SCHEMBL16961108

C=[C]c1cc(CCCC)cc(OC(C)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.43
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ THRB P10828 3/20 0.38
▸ PTGS2 P35354 1/20 0.37
▸ GPR84 Q9NQS5 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ THRA P10827 2/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ FUT7 Q11130 1/20 0.35

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
SCHEMBL16955131 0.91 PTPN1 (0.43) ALOX5CYP4F2CYP4A11THRBPTPN1
SCHEMBL16955768 0.85 CYP4F2 (0.44) ALOX5CYP4F2CYP4A11PTGS2PTPN1
SCHEMBL16951084 0.80 PTGS2 (0.53) PTGS2GPR84CA1CA2CA9
SCHEMBL462587 0.80 ALOX5 (0.57) ALOX5CYP4F2CYP4A11THRBPTGS2
SCHEMBL16958037 0.79 LMNA (0.46) CYP4F2CYP4A11CA9ALDH1A1HSD17B10
SCHEMBL16958216 0.79 RAB9A (0.38) PTGS2CA1CA2CA9MAPK1
SCHEMBL16956038 0.79 CNR1 (0.40) PTGS2MAPK1RAB9AALDH1A1LMNA
SCHEMBL16952426 0.79 CYP4F2 (0.59) ALOX5CYP4F2CYP4A11THRBPTGS2
SCHEMBL16950784 0.78 CYP4F2 (0.41) ALOX5CYP4F2CYP4A11PTGS2MAPK1
SCHEMBL16953130 0.78 ALOX5 (0.46) ALOX5CYP4F2CYP4A11THRBPTGS2

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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