SCHEMBL9568074

SCHEMBL9568074

COc1ccc(CCNC(=O)C(CC(=O)OC2OC(=O)c3ccccc32)NC(=O)c2ccc(-c3ccc(C(=N)N)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.41
PRSS1 P07477 2/20 0.41
TMPRSS15 P98073 2/20 0.41
ITGB3 P05106 5/20 0.40
ITGA2B P08514 5/20 0.40
F2 P00734 2/20 0.39
CTSL P07711 3/20 0.39
ADAMTS4 O75173 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
F10 P00742 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
CTSK P43235 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
SCHEMBL9568131 0.87 CTSS (0.37) CTSSCTSLADAMTS4ADAMTS5NPC1
SCHEMBL8887845 0.76 ITGB3 (0.54) PRSS1TMPRSS15ITGB3ITGA2BF2
Hydrochloric Acid SCHEMBL8885572 0.73 ITGB3 (0.56) PRSS1TMPRSS15ITGB3ITGA2BF2
SCHEMBL2247765 0.72 ADAMTS5 (0.59) CTSSITGB3ITGA2BCTSLADAMTS4
SCHEMBL2247378 0.72 ADAMTS5 (0.59) CTSSITGB3ITGA2BCTSLADAMTS4
Hydrochloric Acid SCHEMBL8886078 0.72 ITGB3 (0.59) PRSS1TMPRSS15ITGB3ITGA2BF2
SCHEMBL9568122 0.69 CTSS (0.43) CTSSITGB3ITGA2BCTSLADAMTS4
SCHEMBL7436661 0.67 ITGB3 (0.74) PRSS1TMPRSS15ITGB3ITGA2B
SCHEMBL9251560 0.67 ITGB3 (0.47) CTSSPRSS1TMPRSS15ITGB3ITGA2B
SCHEMBL7798884 0.66 ALDH1A1 (0.58) CTSSCTSLNPC1RAB9ACTSK

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
EP-0574808-A1 Amidine-biphenyl derivatives, process for their production & medical preparation containing them Dr. Karl Thomae GmbH (DE) 1993-12-22 EP disclosed