SCHEMBL20037083

SCHEMBL20037083

COc1ccccc1CC(=O)OCC(=O)Nc1c(C)nn(-c2ccccc2)c1C

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLK6 Q92876 10/20 0.74
RAB9A P51151 2/20 0.64
PRSS1 P07477 3/20 0.62
PRSS2 P07478 3/20 0.62
PRSS3 P35030 3/20 0.62
KLK7 P49862 1/20 0.62
KLK14 Q9P0G3 1/20 0.62
KLK5 Q9Y337 1/20 0.62
NPC1 O15118 1/20 0.59

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
SCHEMBL20037215 0.89 KLK6 (0.78) KLK6RAB9APRSS1PRSS2PRSS3
SCHEMBL20037303 0.88 KLK6 (0.74) KLK6RAB9APRSS1PRSS2PRSS3
SCHEMBL20037090 0.87 KLK6 (0.75) KLK6RAB9APRSS1PRSS2PRSS3
SCHEMBL20037097 0.87 KLK6 (0.75) KLK6RAB9APRSS1PRSS2PRSS3
SCHEMBL20037170 0.87 KLK6 (0.75) KLK6RAB9APRSS1PRSS2PRSS3
SCHEMBL20037064 0.86 KLK6 (0.74) KLK6RAB9APRSS1PRSS2PRSS3
SCHEMBL20037216 0.85 KLK6 (1.00) KLK6RAB9APRSS1PRSS2PRSS3
SCHEMBL20037081 0.85 KLK6 (0.72) KLK6PRSS1PRSS2PRSS3KLK7
SCHEMBL20037031 0.84 KLK6 (0.71) KLK6RAB9APRSS1PRSS2PRSS3
SCHEMBL20037107 0.84 KLK6 (0.84) KLK6RAB9APRSS1PRSS2PRSS3

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
WO-2018065607-A1 CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN RELATED PEPTIDASE 6 (KLK6) Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2018-04-12 WO disclosed
EP-3305781-A1 CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN-RELATED PEPTIDASE 6 (KLK6) Deutsches Krebsforschungszentrum (DE) 2018-04-11 EP disclosed