SCHEMBL7376152

SCHEMBL7376152

C/C=C/CC(NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.54
CTSK P43235 10/20 0.51
CTSS P25774 4/20 0.50
CTSL P07711 3/20 0.50
CTSB P07858 2/20 0.50
PPARA Q07869 1/20 0.48
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
PSMB5 P28074 1/20 0.46

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
SCHEMBL7376154 1.00 SYK (0.54) SYKCTSKCTSSCTSLCTSB
SCHEMBL5060739 0.88 SYK (0.56) SYKCTSKCTSSCTSLCTSB
SCHEMBL186698 0.88 SYK (0.56) SYKCTSKCTSSCTSLCTSB
SCHEMBL2519866 0.86 CTSK (0.53) CTSKCTSSCTSLCTSBPPARA
SCHEMBL11127997 0.84 SYK (0.66) SYKCTSKCTSSCTSLCTSB
SCHEMBL6320951 0.84 SYK (0.59) SYKCTSKCTSSCTSLCTSB
SCHEMBL13688643 0.84 SYK (0.66) SYKCTSKCTSSCTSLCTSB
SCHEMBL21340066 0.84 SYK (0.66) SYKCTSKCTSSCTSLCTSB
SCHEMBL19485480 0.84 CTSK (0.62) SYKCTSKCTSSCTSLCTSB
SCHEMBL4641124 0.84 SYK (0.59) SYKCTSKCTSSCTSLCTSB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057314-A ANTICOAGULANTS BIOCHEM PHARMA INC. (CA) 2000-05-02 US disclosed
EP-0802916-A1 LOW MOLECULAR WEIGHT BICYCLIC THROMBIN INHIBITORS BIOCHEM PHARMA INC (CA) 1997-10-29 EP disclosed
WO-1996019483-A1 LOW MOLECULAR WEIGHT BICYCLIC THROMBIN INHIBITORS BIOCHEM PHARMA INC. (CA) 1996-06-27 WO disclosed