SCHEMBL7440995

SCHEMBL7440995

CC1(C)C(=O)N(C(S)CCc2ccccc2)C(=O)N1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
ACE P12821 5/20 0.38
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CNR2 P34972 1/20 0.35
TSHR P16473 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7426769 0.86 ATM (0.39) ATMACEPOLBNPSR1CNR2
SCHEMBL7441051 0.84 ATM (0.37) ATMACEPOLBNPSR1CNR2
SCHEMBL7440989 0.78 ACE (0.40) ATMACEPOLBALDH1A1
SCHEMBL7434183 0.74 ALDH1A1 (0.37) POLBTSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL7428792 0.72 CYP2D6 (0.45) ACEPOLBNPSR1CYP2D6CYP2C9
SCHEMBL7436241 0.71 ACE (0.42) ACEPOLB
SCHEMBL7432273 0.71 AMPD2 (0.37) POLBNPSR1KMT2AALDH1A1
SCHEMBL7434091 0.71 ACE (0.41) ACEPOLB
SCHEMBL7443207 0.70 ACE (0.41) ACE
SCHEMBL7439237 0.70 ACE (0.41) ACE

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