SCHEMBL17506629

SCHEMBL17506629

BCCC[C@H]1CN(CCN2CCCC2)C[C@H]1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
ARG1 P05089 2/20 0.34
ARG2 P78540 2/20 0.34
HRH3 Q9Y5N1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 2/20 0.30

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
SCHEMBL21902870 0.99 CYP1A2 (0.39) SMN1; SMN2CYP1A2MAPK1ALDH1A1POLB
SCHEMBL17506616 0.84 ARG1 (0.34) ARG1ARG2
SCHEMBL17850656 0.84 GBA1 (0.37) SMN1; SMN2
SCHEMBL21906658 0.83 ARG1 (0.52) ARG1ARG2
SCHEMBL21902875 0.83 ARG1 (0.52) ARG1ARG2
SCHEMBL22524568 0.82 ARG1 (0.53) SMN1; SMN2CYP1A2MAPK1ARG1ARG2
SCHEMBL4457915 0.82 ARG1 (0.53) SMN1; SMN2CYP1A2MAPK1ARG1ARG2
SCHEMBL21904645 0.82 ARG1 (0.53) SMN1; SMN2CYP1A2MAPK1ARG1ARG2
SCHEMBL17506595 0.80 ARG1 (0.43) CYP1A2ARG1ARG2
SCHEMBL17506694 0.78 ARG1 (0.39) 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
EP-2632927-B1 BORONATES AS ARGINASE INHIBITORS MARS INC (US) 2016-02-10 EP disclosed