SCHEMBL12292898

SCHEMBL12292898

C/C=C(/Cc1ccc(F)cc1)N1CCC(C(N)(CCCCB(O)O)C(=O)O)CC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 18/20 0.57
ARG2 P78540 18/20 0.57
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL894833 0.89 ARG1 (0.62) ARG1ARG2SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL895320 0.88 ARG1 (0.61) ARG1ARG2SMN1; SMN2ALDH1A1
SCHEMBL12292283 0.87 ARG1 (0.60) ARG1ARG2
SCHEMBL895982 0.82 ARG1 (0.82) ARG1ARG2
Hydrochloric Acid SCHEMBL894450 0.81 ARG1 (0.81) ARG1ARG2
SCHEMBL895483 0.80 ARG1 (0.61) ARG1ARG2SMN1; SMN2
Hydrochloric Acid SCHEMBL895016 0.80 ARG1 (0.60) ARG1ARG2SMN1; SMN2
SCHEMBL893860 0.79 ARG1 (0.77) ARG1ARG2
SCHEMBL12293970 0.79 ARG1 (0.57) ARG1ARG2
SCHEMBL895591 0.79 ARG1 (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011133653-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED (US) 2011-10-27 WO disclosed