SCHEMBL7319986

SCHEMBL7319986

CC(=O)OC1NC(=O)C1CCCNC(=NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.46
CTSS P25774 9/20 0.46
CTSL P07711 7/20 0.46
CTSB P07858 6/20 0.45
HTT P42858 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
TPSAB1 Q15661 1/20 0.38
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7410666 1.00 CTSK (0.46) CTSKCTSSCTSLCTSBHTT
SCHEMBL7384402 0.85 IDO1 (0.43) HTTIDO1TDO2TPSAB1KEAP1
SCHEMBL7412436 0.85 IDO1 (0.43) HTTIDO1TDO2TPSAB1KEAP1
SCHEMBL7384409 0.85 IDO1 (0.43) HTTIDO1TDO2TPSAB1KEAP1
SCHEMBL7412445 0.85 IDO1 (0.43) HTTIDO1TDO2TPSAB1KEAP1
SCHEMBL7412431 0.85 IDO1 (0.43) HTTIDO1TDO2TPSAB1KEAP1
SCHEMBL7413013 0.85 IDO1 (0.43) HTTIDO1TDO2TPSAB1KEAP1
SCHEMBL7438697 0.84 IDO1 (0.41) HTTIDO1TDO2TPSAB1KEAP1
SCHEMBL7438694 0.84 IDO1 (0.41) HTTIDO1TDO2TPSAB1KEAP1
SCHEMBL7521279 0.84 IDO1 (0.41) HTTIDO1TDO2TPSAB1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175283-A Enzyme inhibitors for antitrypsin or antithrombin as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1992-12-29 US claimed
US-5326863-A Antithrombin and antitrypsin activity BRISTOL-MYERS SQUIBB COMPANY (US) 1994-07-05 US disclosed
US-5175283-A Enzyme inhibitors for antitrypsin or antithrombin as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1992-12-29 US disclosed
US-5110812-A Treatment of pancreatitis; anticoagulants BRISTOL-MYERS SQUIBB CO. (US) 1992-05-05 US disclosed
US-5037819-A Anticoagulant; treating pancreatitis BRISTOL-MYERS SQUIBB COMPANY (US) 1991-08-06 US disclosed