SCHEMBL28833908

SCHEMBL28833908

C[C@H](N[C@H]1CCN(C(=O)O)C[C@@H]1C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RECQL P46063 1/20 0.42
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
TP53 P04637 1/20 0.39
EPHX1 P07099 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
PRCP P42785 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL23415257 1.00 GAA (0.43) GAAL3MBTL1RECQLDPP4DPP7
SCHEMBL23415254 1.00 GAA (0.43) GAAL3MBTL1RECQLDPP4DPP7
SCHEMBL26621719 1.00 GAA (0.43) GAAL3MBTL1RECQLDPP4DPP7
SCHEMBL23415258 1.00 GAA (0.43) GAAL3MBTL1RECQLDPP4DPP7
SCHEMBL23415351 1.00 GAA (0.43) GAAL3MBTL1RECQLDPP4DPP7
SCHEMBL23415255 1.00 GAA (0.43) GAAL3MBTL1RECQLDPP4DPP7
SCHEMBL23415349 1.00 GAA (0.43) GAAL3MBTL1RECQLDPP4DPP7
SCHEMBL3579628 0.90 GAA (0.43) GAAL3MBTL1RECQLTAAR1KCNQ3
SCHEMBL3579627 0.90 GAA (0.43) GAAL3MBTL1RECQLTAAR1KCNQ3
SCHEMBL3579624 0.90 GAA (0.43) GAAL3MBTL1RECQLTAAR1KCNQ3

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
CN-114980976-A Covalent RAS inhibitors and uses thereof 锐新医药公司 2022-08-30 CN disclosed