SCHEMBL8621695

SCHEMBL8621695

CC(C)(C)OC(=O)NC[C@@H](Cc1cccs1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.57
CTSS P25774 1/20 0.57
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
CTSC P53634 2/20 0.43
ALDH1A1 P00352 1/20 0.42
SYK P43405 1/20 0.42
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
PGGT1B P53609 2/20 0.39
MALT1 Q9UDY8 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39

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
SCHEMBL13821707 0.84 CTSK (0.56) CTSKCTSSCYP2C19CTSCALDH1A1
SCHEMBL1914803 0.81 CYP2C19 (0.53) CTSKCTSSCYP2C19MEN1KMT2A
SCHEMBL1914799 0.81 CYP2C19 (0.53) CTSKCTSSCYP2C19MEN1KMT2A
SCHEMBL3825012 0.80 ATM (0.55) CTSKCTSSMEN1GAAKMT2A
SCHEMBL825959 0.80 ATM (0.55) CTSKCTSSMEN1GAAKMT2A
SCHEMBL1186455 0.80 ATM (0.55) CTSKCTSSMEN1GAAKMT2A
SCHEMBL844316 0.80 CTSK (0.73) CTSKCTSSCYP2C19RAB9A
SCHEMBL844317 0.80 CTSK (0.73) CTSKCTSSCYP2C19RAB9A
SCHEMBL2481878 0.80 CTSK (0.73) CTSKCTSSCYP2C19RAB9A
SCHEMBL1163822 0.78 CTSK (0.60) CTSKCTSSMEN1GAAKMT2A

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
US-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed