SCHEMBL7440464

SCHEMBL7440464

CC(C)(C(=O)O)N1CC(=O)N(C(CS)Cc2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.41
CPA3 P15088 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
MME P08473 5/20 0.37
HPGD P15428 2/20 0.36
ACE P12821 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
ECE1 P42892 1/20 0.36
BLM P54132 1/20 0.36
NPEPPS P55786 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7445692 0.79 ENPP2 (0.36) FOLH1CPA3ALDH1A1PKMMME
SCHEMBL7446522 0.78 CPA3 (0.44) FOLH1CPA3ALDH1A1PKMMME
SCHEMBL7440468 0.78 POLB (0.37) ALDH1A1PKMHPGDHSD17B10MEN1
SCHEMBL7428787 0.78 KMT2A (0.45) FOLH1CPA3ALDH1A1PKMMME
SCHEMBL7428452 0.78 PLA2G10 (0.45) FOLH1CPA3ALDH1A1PKM
SCHEMBL7439151 0.77 MME (0.46) FOLH1CPA3ALDH1A1PKMMME
SCHEMBL7442303 0.77 ALDH1A1 (0.53) FOLH1CPA3ALDH1A1PKMHSD17B10
SCHEMBL7435392 0.76 MME (0.43) FOLH1CPA3ALDH1A1PKMMME
SCHEMBL7437103 0.76 MME (0.43) FOLH1CPA3ALDH1A1PKMMME
SCHEMBL7435805 0.76 CPA3 (0.38) FOLH1CPA3ALDH1A1PKMMME

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-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed