SCHEMBL9252703

SCHEMBL9252703

COc1ccc(CCNC(=O)C(CC(=O)OCc2ccccc2)NC(=O)c2ccc3c(c2)nc(-c2ccc(C(=O)OCc4ccccc4)cc2C(=N)N)n3C)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.39
TP53 P04637 3/20 0.38
MAPT P10636 1/20 0.38
CTSS P25774 5/20 0.37
CTSK P43235 3/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CTSL P07711 4/20 0.36
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
KMT2A Q03164 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
MEN1 O00255 1/20 0.36
PRSS1 P07477 1/20 0.35
TMPRSS15 P98073 1/20 0.35

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
SCHEMBL9255606 0.90 MMP1 (0.39) CTSSCTSKCTSLITGB3ITGA2B
SCHEMBL9246050 0.87 HDAC6 (0.40) MAPTHDAC6ITGB3ITGA2BTMPRSS15
SCHEMBL9252266 0.85 ACE (0.38) HDAC6ITGB3ITGA2BTMPRSS15
SCHEMBL9252204 0.85 LNPEP (0.40) HDAC6
SCHEMBL9253897 0.85 LNPEP (0.38) CTSKHDAC6KMT2AITGB3ITGA2B
SCHEMBL9252697 0.84 HDAC6 (0.42) ENPP2TP53MAPTCTSSCTSK
SCHEMBL9251560 0.79 ITGB3 (0.47) ENPP2TP53CTSSHDAC6CTSL
SCHEMBL9255461 0.74 HDAC6 (0.42) CTSSCTSKHDAC6CTSL
SCHEMBL9252259 0.73 EHMT2 (0.43) ENPP2TP53MAPTITGB3ITGA2B
SCHEMBL8408125 0.71 CTSL (0.41) MAPTCTSSCTSKCTSLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed