SCHEMBL7440989

SCHEMBL7440989

CC1(C)C(=O)N(C(CS)Cc2ccccc2)C(=O)N1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.40
CPA3 P15088 1/20 0.38
FOLH1 Q04609 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
MME P08473 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL7426767 0.86 ACE (0.37) ACECPA3FOLH1ALDH1A1GAA
SCHEMBL7441046 0.84 CPA3 (0.38) ACECPA3FOLH1ALDH1A1GAA
SCHEMBL7435582 0.82 ACE (0.40) ACECPA3FOLH1ALDH1A1GAA
SCHEMBL7432557 0.82 ACE (0.40) ACECPA3FOLH1ALDH1A1GAA
SCHEMBL7437087 0.81 ACE (0.37) ACECPA3FOLH1ALDH1A1GAA
SCHEMBL7440995 0.78 ATM (0.43) ACEATMALDH1A1POLB
SCHEMBL7434177 0.74 HSD11B1 (0.38) ACEALDH1A1GAATDP1
SCHEMBL7428787 0.72 KMT2A (0.45) ACECPA3FOLH1ALDH1A1MME
SCHEMBL7436233 0.71 MME (0.39) ACEMME
SCHEMBL7432267 0.71 AMPD2 (0.36) ALDH1A1GAATDP1POLBL3MBTL1

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