SCHEMBL16950751

SCHEMBL16950751

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.45
GAA P10253 3/20 0.43
TSHR P16473 1/20 0.43
NR1H4 Q96RI1 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
GCK P35557 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL2175919 0.89 XDH (0.50) XDHGAATSHRNR1H4CA12
SCHEMBL2177328 0.83 NR1H4 (0.50) XDHGAATSHRNR1H4CA12
SCHEMBL2650533 0.83 CA12 (0.58) XDHGAATSHRNR1H4CA12
SCHEMBL16957370 0.83 KDM4E (0.44) XDHGAATSHRCA12CA1
SCHEMBL16961131 0.81 GAA (0.43) XDHGAATSHRNR1H4MAPT
SCHEMBL10068564 0.81 XDH (0.44) XDHGAATSHRNR1H4CA12
SCHEMBL10068560 0.79 ALDH1A1 (0.45) XDHGAATSHRNR1H4CA12
SCHEMBL16962165 0.79 MAPT (0.50) TSHRMAPTKDM4EL3MBTL1SMPD1
SCHEMBL16957757 0.79 CA1 (0.52) XDHGAATSHRCA12CA1
SCHEMBL26049008 0.77 NR1H4 (0.60) XDHTSHRNR1H4HSD17B10LMNA

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