SCHEMBL18376012

SCHEMBL18376012

CN(O)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.42
CPB1 P15086 1/20 0.42
CPA3 P15088 1/20 0.42
CPB2 Q96IY4 1/20 0.42
EPHX1 P07099 1/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
LTA4H P09960 3/20 0.39
TRPA1 O75762 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
ABCB1 P08183 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
SCHEMBL18369508 0.90 ALDH1A1 (0.47) CPA1CPB1CPA3CPB2EPHX1
SCHEMBL18369535 0.88 CPA1 (0.41) CPA1CPB1CPA3CPB2EPHX1
SCHEMBL18369536 0.88 CPA1 (0.41) CPA1CPB1CPA3CPB2EPHX1
SCHEMBL18379177 0.82 TACR3 (0.42) CPA1CPB1CPA3CPB2EPHX1
SCHEMBL24899440 0.81 HPGD (0.49) EPHX1HPGDALDH1A1MAPTLTA4H
SCHEMBL7064891 0.79 EPHX1 (0.50) EPHX1HPGDALDH1A1MAPTTRPA1
SCHEMBL18376007 0.78 CCKAR (0.40)
SCHEMBL17992751 0.78 EPHX1 (0.49) EPHX1HPGDALDH1A1MAPTTRPA1
SCHEMBL18379143 0.77 CCKAR (0.41)
SCHEMBL18376061 0.77 TACR3 (0.37) ALDH1A1MAPT

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-2017005765-A1 NOVEL PEPTIDES AND PEPTIDE DERIVATIVES AND USES THEREOF NOVO NORDISK A/S (DK) 2017-01-12 WO disclosed