SCHEMBL7367945

SCHEMBL7367945

CS(=O)(=O)OCC(Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.64
SYK P43405 1/20 0.51
CTSL P07711 4/20 0.50
CTSK P43235 4/20 0.50
CTSB P07858 2/20 0.50
CTSS P25774 2/20 0.50
CYP3A4 P08684 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
TACR1 P25103 2/20 0.48
ELANE P08246 1/20 0.47
ATM Q13315 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 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
SCHEMBL7342332 1.00 CTRB1 (0.64) CTRB1SYKCTSLCTSKCTSB
SCHEMBL7367948 1.00 CTRB1 (0.64) CTRB1SYKCTSLCTSKCTSB
SCHEMBL2636265 0.90 SYK (0.60) CTRB1SYKCTSLCTSKCTSB
SCHEMBL14842339 0.89 CTRB1 (0.52) CTRB1SYKCTSKCYP3A4TRPM8
SCHEMBL4343315 0.89 CTRB1 (0.52) CTRB1SYKELANEATMCA12
SCHEMBL4343313 0.89 CTRB1 (0.52) CTRB1SYKELANEATMCA12
SCHEMBL14842340 0.89 CTRB1 (0.52) CTRB1SYKCTSKCYP3A4TRPM8
SCHEMBL14842341 0.89 CTRB1 (0.52) CTRB1SYKCTSKCYP3A4TRPM8
SCHEMBL12208730 0.88 SYK (0.52) CTRB1SYKCTSLCTSKCTSB
SCHEMBL20640409 0.88 SYK (0.52) CTRB1SYKCTSLCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5925624-A ANTIINFLAMMATORY AGENTS TREATING PATIENTS WITH INFLAMMATORY CONDITIONS SUSCEPTIBLE TO LEUKOCYTE-INDUCED TISSUE DAMAGE GLAXO GROUP LIMITED (GB) 1999-07-20 US disclosed
US-5889178-A N-(2,2-DIPHENYLETHYL)-DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-30 US disclosed
EP-0680488-B1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LTD (GB) 1998-04-08 EP disclosed
WO-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 WO disclosed
EP-0680488-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1995-11-08 EP disclosed
WO-1994017090-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1994-08-04 WO disclosed