SCHEMBL9558142

SCHEMBL9558142

CC(C)(C)OC(=O)N1CCCCC1CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ACE P12821 4/20 0.52
ATM Q13315 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ACE2 Q9BYF1 2/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
CMA1 P23946 2/20 0.48
YAP1 P46937 1/20 0.47
KMT2A Q03164 3/20 0.47
KDM1A O60341 1/20 0.46

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
SCHEMBL9558243 0.83 YAP1 (0.64) MAPK1ACEATMYAP1KMT2A
SCHEMBL9557328 0.81 CHRM3 (0.60) ITGB3ITGA2B
SCHEMBL9558140 0.81 MAPK1 (0.58) MAPK1ALDH1A1HSD17B10ACEATM
SCHEMBL3825215 0.80 CMA1 (0.63) MAPK1ALDH1A1HSD17B10ACEATM
SCHEMBL21748404 0.80 CMA1 (0.63) MAPK1ALDH1A1HSD17B10ACEATM
SCHEMBL3165688 0.80 CMA1 (0.63) MAPK1ALDH1A1HSD17B10ACEATM
SCHEMBL3165695 0.80 CMA1 (0.63) MAPK1ALDH1A1HSD17B10ACEATM
SCHEMBL22370634 0.79 PPARA (0.52) MAPK1ACEITGB3ITGA2BYAP1
SCHEMBL22370631 0.79 PPARA (0.52) MAPK1ACEITGB3ITGA2BYAP1
SCHEMBL6610956 0.78 KLK7 (0.50) ATML3MBTL1KMT2AKDM1A

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
US-5215968-A Hypotension agents and viricides HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-01 US disclosed
EP-0373497-A2 Dipeptide derivatives with an enzyme-inhibiting activity HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-20 EP disclosed