SCHEMBL16956856

SCHEMBL16956856

[CH2]c1cc(CCC)cc(OC(C)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.46
▸ PTPN11 Q06124 2/20 0.46
▸ CYP4F2 P78329 1/20 0.45
▸ CYP4A11 Q02928 1/20 0.45
▸ THRB P10828 1/20 0.41
▸ ALOX5 P09917 3/20 0.41
▸ LMNA P02545 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MTNR1A P48039 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36

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
SCHEMBL16952283 0.86 CYP4F2 (0.47) PTPN1PTPN11CYP4F2CYP4A11ALOX5
SCHEMBL16959092 0.81 CYP4F2 (0.63) PTPN1PTPN11CYP4F2CYP4A11THRB
SCHEMBL16956859 0.81 LMNA (0.47) PTPN1PTPN11CYP4F2CYP4A11THRB
SCHEMBL16961649 0.80 PTPN1 (0.46) PTPN1PTPN11CYP4F2CYP4A11THRB
SCHEMBL10183039 0.80 CYP4F2 (0.58) PTPN1PTPN11CYP4F2CYP4A11ALOX5
SCHEMBL16955131 0.80 PTPN1 (0.43) PTPN1PTPN11CYP4F2CYP4A11THRB
SCHEMBL16955132 0.80 THRB (0.45) PTPN1PTPN11CYP4F2CYP4A11THRB
SCHEMBL16955520 0.79 CYP4F2 (0.42) PTPN1PTPN11CYP4F2CYP4A11THRB
SCHEMBL16957669 0.79 CYP4F2 (0.44) CYP4F2CYP4A11ALOX5LMNAKDM4E
SCHEMBL16961651 0.78 PTPN1 (0.42) PTPN1PTPN11CYP4F2CYP4A11THRB

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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