SCHEMBL16955131

SCHEMBL16955131

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.43
▸ PTPN11 Q06124 2/20 0.43
▸ CYP4F2 P78329 1/20 0.42
▸ CYP4A11 Q02928 1/20 0.42
▸ ALOX5 P09917 3/20 0.39
▸ THRB P10828 1/20 0.39
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 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
SCHEMBL16961108 0.91 ALOX5 (0.43) PTPN1PTPN11CYP4F2CYP4A11ALOX5
SCHEMBL16955768 0.88 CYP4F2 (0.44) PTPN1PTPN11CYP4F2CYP4A11ALOX5
SCHEMBL16958037 0.82 LMNA (0.46) CYP4F2CYP4A11MAPTLMNAALDH1A1
SCHEMBL16950784 0.81 CYP4F2 (0.41) CYP4F2CYP4A11ALOX5MAPTLMNA
SCHEMBL16956856 0.80 PTPN1 (0.46) PTPN1PTPN11CYP4F2CYP4A11ALOX5
SCHEMBL16954158 0.79 PTGS2 (0.44) PTPN1ALDH1A1CYP3A4
SCHEMBL16950805 0.78 KMT2A (0.40) CYP4F2CYP4A11MAPTLMNAALDH1A1
SCHEMBL16958096 0.78 NQO1 (0.39) THRBMAPTHTTRAB9AMEN1
SCHEMBL16959092 0.78 CYP4F2 (0.63) PTPN1PTPN11CYP4F2CYP4A11ALOX5
SCHEMBL16956859 0.78 LMNA (0.47) PTPN1PTPN11CYP4F2CYP4A11ALOX5

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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