SCHEMBL21748404

SCHEMBL21748404

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 10/20 0.63
MAPK1 P28482 1/20 0.58
ACE P12821 1/20 0.58
KMT2A Q03164 2/20 0.55
CTRB1 P17538 1/20 0.55
KLK5 Q9Y337 1/20 0.54
ALDH1A1 P00352 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.53
ATM Q13315 1/20 0.52

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
SCHEMBL3825215 1.00 CMA1 (0.63) CMA1MAPK1ACEKMT2ACTRB1
SCHEMBL3165688 1.00 CMA1 (0.63) CMA1MAPK1ACEKMT2ACTRB1
SCHEMBL3165695 1.00 CMA1 (0.63) CMA1MAPK1ACEKMT2ACTRB1
SCHEMBL30152222 0.96 CMA1 (0.59) CMA1MAPK1ACEKMT2ACTRB1
SCHEMBL30689130 0.92 CMA1 (0.58) CMA1MAPK1ACEKMT2ACTRB1
SCHEMBL28067688 0.92 ACE (0.56) CMA1ACEKMT2ACTRB1KLK5
SCHEMBL28067687 0.92 ACE (0.56) CMA1ACEKMT2ACTRB1KLK5
SCHEMBL5689963 0.91 CMA1 (0.54) CMA1MAPK1ACEKMT2AALDH1A1
SCHEMBL30487494 0.90 CMA1 (0.54) CMA1MAPK1ACEKMT2AALDH1A1
SCHEMBL5689518 0.89 CMA1 (0.53) CMA1MAPK1ACEKMT2AALDH1A1

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-1817109-B1 MIXED-MODAL ANION-EXCHANGE TYPE SEPARATION MATERIAL MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed