SCHEMBL21748461

SCHEMBL21748461

CCC(N)C(=O)NC(C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.56
ACE P12821 1/20 0.56
CPA1 P15085 1/20 0.56
ACE2 Q9BYF1 1/20 0.56
DPP4 P27487 2/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
DPP7 Q9UHL4 1/20 0.46
CTSC P53634 3/20 0.43
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
SLC7A5 Q01650 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CTSH P09668 1/20 0.39
CYP2D6 P10635 1/20 0.39
CTSK P43235 1/20 0.39
LTA4H P09960 2/20 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
SCHEMBL17868351 1.00 MME (0.56) MMEACECPA1ACE2DPP4
SCHEMBL29942529 0.96 MME (0.53) MMEACECPA1ACE2DPP4
SCHEMBL23029892 0.84 DPP9 (0.51) MMEACECPA1ACE2DPP4
SCHEMBL28480796 0.84 DPP9 (0.51) MMEACECPA1ACE2DPP4
SCHEMBL2739566 0.83 MME (0.47) MMEACECPA1ACE2DPP4
SCHEMBL5841680 0.83 MME (0.47) MMEACECPA1ACE2DPP4
SCHEMBL2739540 0.83 MME (0.47) MMEACECPA1ACE2DPP4
SCHEMBL23030200 0.83 MME (0.47) MMEACECPA1ACE2DPP4
SCHEMBL2740246 0.83 MME (0.47) MMEACECPA1ACE2DPP4
SCHEMBL2739567 0.83 MME (0.47) MMEACECPA1ACE2DPP4

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-3237903-B1 METHODS FOR AUTHENTICATION AND IDENTIFICATION OF PETROLEUM PRODUCTS EXXONMOBIL RES & ENG CO (US) 2020-02-26 EP claimed