SCHEMBL12434713

SCHEMBL12434713

CNCCC(C)(N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.52
ARG1 P05089 1/20 0.47
ARG2 P78540 1/20 0.47
BLM P54132 2/20 0.37
GRM4 Q14833 1/20 0.37
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
EGFR P00533 1/20 0.34
FYN P06241 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
APEX1 P27695 1/20 0.34

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
SCHEMBL19488433 0.85 ARG1 (0.56) GGT1ARG1ARG2BLMGRM4
SCHEMBL8687592 0.80 GGT1 (0.65) GGT1ARG1ARG2BLMALDH1A1
SCHEMBL31688794 0.78
SCHEMBL5323056 0.78
SCHEMBL28638811 0.76
Hydrochloric Acid SCHEMBL27526987 0.76 GGT1 (0.56) GGT1ARG1ARG2BLMALDH1A1
SCHEMBL15910255 0.76 ALDH1A1 (0.35) GGT1GRM4ALDH1A1MEN1KMT2A
SCHEMBL18756508 0.76 ACLY (0.43) GGT1ALDH1A1CYP1A2KDM4EGAA
SCHEMBL179782 0.76 GRM4 (0.61) GGT1ARG1ARG2BLMGRM4
SCHEMBL179781 0.76 GRM4 (0.61) GGT1ARG1ARG2BLMGRM4

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
WO-2017191130-A2 ARGINASE INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS ONCOARENDI THERAPEUTICS SA (PL) 2017-11-09 WO disclosed
WO-2011091548-A1 METHOD FOR CUCURBITINE SYNTHESIS UNILEVER PLC (GB) 2011-08-04 WO disclosed