SCHEMBL28329403

SCHEMBL28329403

CCCCCCNOC(=O)CC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.54
CNR2 P34972 2/20 0.50
NAAA Q02083 2/20 0.50
CNR1 P21554 1/20 0.44
CASP2 P42575 1/20 0.44
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
FAAH O00519 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
DGKA P23743 1/20 0.41

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
SCHEMBL3258368 1.00 EPHX1 (0.54) EPHX1CNR2NAAACNR1CASP2
SCHEMBL11046643 1.00 EPHX1 (0.54) EPHX1CNR2NAAACNR1CASP2
SCHEMBL28331554 1.00 EPHX1 (0.54) EPHX1CNR2NAAACNR1CASP2
SCHEMBL11458695 1.00 EPHX1 (0.54) EPHX1CNR2NAAACNR1CASP2
SCHEMBL29243094 0.98 EPHX1 (0.52) EPHX1CNR2NAAACNR1CASP2
SCHEMBL27684752 0.98 EPHX1 (0.52) EPHX1CNR2NAAACNR1CASP2
SCHEMBL11591814 0.98 EPHX1 (0.52) EPHX1CNR2NAAACNR1CASP2
SCHEMBL3769461 0.98 EPHX1 (0.52) EPHX1CNR2NAAACNR1CASP2
Ammonia Solution, Strong SCHEMBL28363342 0.98 EPHX1 (0.52) EPHX1CNR2NAAACNR1CASP2
SCHEMBL2488982 0.98 EPHX1 (0.52) EPHX1CNR2NAAACNR1CASP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106103423-B Pyrazine compounds 阿斯利康(瑞典)有限公司 2019-12-06 CN disclosed
CN-109641835-A Method for producing carbamate 国立研究开发法人产业技术综合研究所 2019-04-16 CN disclosed