SCHEMBL18075699

SCHEMBL18075699

N=C(N)NCCC[C@H](NC1CCCCO1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CPB2 Q96IY4 3/20 0.31
▸ SPHK1 Q9NYA1 3/20 0.31
▸ ALB P02768 1/20 0.31

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
SCHEMBL32665433 0.90 C3AR1 (0.37) EPHX2SMN1; SMN2CPB2
SCHEMBL27632265 0.81 SMN1; SMN2 (0.45) EPHX2SMN1; SMN2CPB2
SCHEMBL28786664 0.81 CPB2 (0.46) CPB2
SCHEMBL7628167 0.79 EPHX2 (0.37) EPHX2SMN1; SMN2CPB2ALB
SCHEMBL32665488 0.79 CPB2 (0.35) CPB2
SCHEMBL1345737 0.79 EPHX2 (0.37) EPHX2SMN1; SMN2CPB2ALB
SCHEMBL1343538 0.77 USP2 (0.43) SMN1; SMN2
SCHEMBL1343537 0.77 USP2 (0.43) SMN1; SMN2
SCHEMBL30861186 0.77 CPB2 (0.44) CPB2
SCHEMBL30058897 0.76 FOLH1 (0.42) EPHX2

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
US-20180052161-A1 BIOMARKERS FOR MALARIA DIAGNOSIS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2018-02-22 — — US disclosed
WO-2016149386-A1 BIOMARKERS FOR MALARIA DIAGNOSIS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2016-09-22 — — WO disclosed
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