SCHEMBL28095683

SCHEMBL28095683

[CH2][C@@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.62
ACE P12821 4/20 0.62
ALDH1A1 P00352 2/20 0.62
ECE1 P42892 2/20 0.62
HPGD P15428 1/20 0.62
MAPK1 P28482 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MEN1 O00255 1/20 0.62
MAPT P10636 1/20 0.62
BLM P54132 1/20 0.62
NPEPPS P55786 1/20 0.62
KMT2A Q03164 1/20 0.62

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
SCHEMBL28095685 1.00 MME (0.62) MMEACEALDH1A1ECE1HPGD
SCHEMBL10447979 0.82 MME (0.81) MMEACEALDH1A1ECE1HPGD
SCHEMBL28833581 0.82 CYP1A2 (0.60) ALDH1A1HPGDMAPK1MEN1MAPT
SCHEMBL11805463 0.81 ACE (0.69) MMEACEALDH1A1ECE1HPGD
SCHEMBL8432471 0.81 MME (0.79) MMEACEALDH1A1ECE1HPGD
SCHEMBL5540459 0.79 CYP3A4 (0.69) MMEACEALDH1A1ECE1HPGD
SCHEMBL1329815 0.79 MME (0.62) MMEACEALDH1A1ECE1HPGD
SCHEMBL6047673 0.79 MME (0.62) MMEACEALDH1A1ECE1HPGD
SCHEMBL11802584 0.79 MME (0.62) MMEACEALDH1A1ECE1HPGD
SCHEMBL1329817 0.79 MME (0.62) MMEACEALDH1A1ECE1HPGD

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-103739531-B Novel aminoacid derivate, its preparation method and therapeutic use 领先药物公司 2016-09-14 CN disclosed