SCHEMBL9202736

SCHEMBL9202736

NCCCC(N)C(=O)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
ANPEP P15144 1/20 0.52
MMP2 P08253 1/20 0.51
SLC1A3 P43003 1/20 0.49
SLC1A1 P43005 1/20 0.49
DPP8 Q6V1X1 2/20 0.48
DPP7 Q9UHL4 2/20 0.48
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TPSAB1 Q15661 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
ITGB3 P05106 4/20 0.46
ITGA2B P08514 4/20 0.46
CTSL P07711 1/20 0.46
DPP4 P27487 1/20 0.45
DPP9 Q86TI2 1/20 0.45

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
SCHEMBL9202741 1.00 LTA4H (0.55) LTA4HANPEPMMP2SLC1A3SLC1A1
SCHEMBL9195808 0.96 LTA4H (0.60) LTA4HANPEPMMP2SLC1A3SLC1A1
SCHEMBL9195814 0.96 LTA4H (0.60) LTA4HANPEPMMP2SLC1A3SLC1A1
SCHEMBL7303955 0.85 LTA4H (0.58) LTA4HANPEPSLC1A3SLC1A1CA12
Hydrochloric Acid SCHEMBL10653391 0.83 LTA4H (0.53) LTA4HANPEPMMP2SLC1A3SLC1A1
SCHEMBL5906855 0.83 CTRB1 (0.54) SLC1A3SLC1A1CA12CA1CA2
SCHEMBL5906852 0.83 CTRB1 (0.54) SLC1A3SLC1A1CA12CA1CA2
SCHEMBL4622400 0.83 LTA4H (0.52) LTA4HANPEPMMP2SLC1A3SLC1A1
SCHEMBL20335061 0.83 LTA4H (0.52) LTA4HANPEPMMP2SLC1A3SLC1A1
SCHEMBL11190557 0.82 CTRB1 (0.56) MMP2SLC1A3SLC1A1CA12CA1

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
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO disclosed