SCHEMBL7757520

SCHEMBL7757520

CC(C)(C)OC(=O)NC[C@@H](C(=O)F)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.49
CTSS P25774 5/20 0.49
SYK P43405 1/20 0.49
ATM Q13315 1/20 0.43
MALT1 Q9UDY8 1/20 0.42
IDO1 P14902 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
KDM4A O75164 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
MAPT P10636 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7760725 1.00 CTSK (0.49) CTSKCTSSSYKATMMALT1
SCHEMBL118384 0.88 CTSK (0.51) CTSKCTSSSYKATMMALT1
SCHEMBL266021 0.88 CTSK (0.51) CTSKCTSSSYKATMMALT1
SCHEMBL266022 0.88 CTSK (0.51) CTSKCTSSSYKATMMALT1
SCHEMBL12028293 0.87 CTSK (0.50) CTSKCTSSSYKATMMALT1
SCHEMBL20777776 0.86 CTSS (0.50) CTSKCTSSSYKATMMALT1
SCHEMBL27406072 0.86 SYK (0.52) CTSKCTSSSYKATMMALT1
SCHEMBL27406074 0.86 SYK (0.52) CTSKCTSSSYKATMMALT1
SCHEMBL5669913 0.86 CTSK (0.49) CTSKCTSSSYKATMMALT1
SCHEMBL6531538 0.86 SYK (0.52) CTSKCTSSSYKATMMALT1

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
WO-2001057526-A1 METHOD FOR ANALYSIS OF REACTION PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2001-08-09 WO disclosed