SCHEMBL4457915

SCHEMBL4457915

O=C(O)[C@@H]1CN(CCN2CCCCC2)C[C@@H]1CCCB(O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 19/20 0.53
ARG2 P78540 9/20 0.53
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL22524568 1.00 ARG1 (0.53) ARG1ARG2CYP1A2MAPK1SMN1; SMN2
SCHEMBL21904645 1.00 ARG1 (0.53) ARG1ARG2CYP1A2MAPK1SMN1; SMN2
SCHEMBL21902875 0.99 ARG1 (0.52) ARG1ARG2
SCHEMBL21906658 0.99 ARG1 (0.52) ARG1ARG2
SCHEMBL20331801 0.83 ARG1 (0.44) ARG1ARG2
SCHEMBL21902870 0.83 CYP1A2 (0.39) ARG1ARG2CYP1A2MAPK1SMN1; SMN2
SCHEMBL21906656 0.83 ARG1 (0.52) ARG1ARG2
SCHEMBL10229362 0.83 ARG1 (0.52) ARG1ARG2
SCHEMBL17506629 0.82 SMN1; SMN2 (0.37) ARG1ARG2CYP1A2MAPK1SMN1; SMN2
SCHEMBL4449212 0.80 ARG1 (0.46) ARG1ARG2

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
EP-3034509-B1 ARGINASE INHIBITORS AS THERAPEUTICS MARS INC (US) 2020-04-22 EP disclosed
WO-2012058065-A1 BORONATES AS ARGINASE INHIBITORS MARS INCORPORATED (US) 2012-05-03 WO disclosed