SCHEMBL27738286

SCHEMBL27738286

CCOC(=O)[C@@H](C)NC(=O)[C@H](N)CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 11/20 0.51
METAP1 P53582 6/20 0.51
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
CAD P27708 1/20 0.35
BIRC2 Q13490 1/20 0.35
LTA4H P09960 2/20 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
SCHEMBL27182944 1.00 METAP2 (0.51) METAP2METAP1S1PR1S1PR3DPP4
SCHEMBL10346849 0.87 S1PR1 (0.41) METAP2METAP1S1PR1S1PR3DPP4
SCHEMBL10748731 0.86 BIRC2 (0.42) METAP2METAP1S1PR1S1PR3DPP4
SCHEMBL27524339 0.86 BIRC2 (0.42) METAP2METAP1S1PR1S1PR3DPP4
SCHEMBL10700935 0.86 BIRC2 (0.42) METAP2METAP1S1PR1S1PR3DPP4
Hydrochloric Acid SCHEMBL23404051 0.85 BIRC2 (0.41) METAP2METAP1S1PR1S1PR3DPP4
SCHEMBL8644895 0.85 METAP2 (0.55) METAP2METAP1
SCHEMBL8644894 0.85 METAP2 (0.55) METAP2METAP1
SCHEMBL27183387 0.84 S1PR1 (0.48) METAP2METAP1S1PR1S1PR3DPP4
SCHEMBL10346838 0.83 DPP4 (0.37) METAP2METAP1S1PR1S1PR3DPP4

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
CN-101429533-A Synthesis process with amide zymoid method for pressure reduction azeotropy continuous water elimination UNIV JIANGNAN (CN) 2009-05-13 CN disclosed
CN-101418323-A A kind of azeotropic water removing coupling simulated moving bed amides enzyme method production process UNIV JIANGNAN (CN) 2009-04-29 CN disclosed