SCHEMBL7360205

SCHEMBL7360205

CC(C)(C)OC(=O)C[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.62
SYK P43405 1/20 0.62
ATM Q13315 1/20 0.56
CTSK P43235 5/20 0.49
CTSL P07711 4/20 0.49
CTSB P07858 2/20 0.49
CTSS P25774 2/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
CYP3A4 P08684 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
TACR1 P25103 2/20 0.47
APP P05067 1/20 0.47

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
SCHEMBL7360200 1.00 CTRB1 (0.62) CTRB1SYKATMCTSKCTSL
SCHEMBL14119009 0.90 ATM (0.62) CTRB1SYKATMCTSKCTSL
SCHEMBL15928906 0.90 ATM (0.62) CTRB1SYKATMCTSKCTSL
SCHEMBL25256638 0.90 SYK (0.62) CTRB1SYKATMCTSKCTSL
SCHEMBL7496788 0.90 SYK (0.62) CTRB1SYKATMCTSKCTSL
SCHEMBL25301720 0.90 SYK (0.62) CTRB1SYKATMCTSKCTSL
SCHEMBL5197783 0.90 SYK (0.62) CTRB1SYKATMCTSKCTSL
SCHEMBL12849405 0.90 SYK (0.72) CTRB1SYKATMCTSKCTSL
SCHEMBL28113259 0.90 ATM (0.68) SYKATMCTSKCTSLCTSB
SCHEMBL28113260 0.90 ATM (0.68) SYKATMCTSKCTSLCTSB

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-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 WO disclosed