SCHEMBL9333314

SCHEMBL9333314

CCCCCNC(=O)NC(=O)CCl

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 13/20 0.63
CASP2 P42575 1/20 0.52
FAAH O00519 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NAAA Q02083 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL9333202 0.98 EPHX1 (0.67) EPHX1CASP2FAAHSMN1; SMN2ALDH1A1
SCHEMBL28941966 0.94 EPHX1 (0.57) EPHX1CASP2FAAHSMN1; SMN2ALDH1A1
SCHEMBL1964189 0.85 EPHX1 (0.48) EPHX1SMN1; SMN2ALDH1A1
SCHEMBL28303861 0.84 EPHX1 (0.69) EPHX1CASP2ALDH1A1NAAAMEN1
SCHEMBL4911114 0.83 ALDH1A1 (0.73) EPHX1CASP2FAAHSMN1; SMN2ALDH1A1
SCHEMBL19336851 0.83 EPHX1 (0.82) EPHX1CASP2ALDH1A1NAAA
SCHEMBL11252841 0.82 EPHX1 (0.67) EPHX1CASP2FAAHNAAA
SCHEMBL11257359 0.82 EPHX1 (0.67) EPHX1CASP2FAAHNAAA
SCHEMBL15856106 0.81 ALDH1A1 (0.77) EPHX1CASP2FAAHSMN1; SMN2ALDH1A1
SCHEMBL20456253 0.81 ALDH1A1 (0.77) EPHX1CASP2FAAHSMN1; SMN2ALDH1A1

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
US-5288905-A Glycyl urea derivatives as anti-convulsants G. D. SEARLE & CO. (US) 1994-02-22 US disclosed