SCHEMBL6559929

SCHEMBL6559929

CCS(=O)(=O)CCCNC1CC(C)(C)Oc2ccc(NC=O)cc21

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.38
TRPV1 Q8NER1 10/20 0.35
SIRT1 Q96EB6 3/20 0.35
CTSD P07339 4/20 0.33
BACE1 P56817 4/20 0.33
BACE2 Q9Y5Z0 1/20 0.33

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
SCHEMBL6559536 0.96 SIRT2 (0.37) SIRT2TRPV1SIRT1CTSDBACE1
SCHEMBL6559967 0.96 SIRT2 (0.37) SIRT2TRPV1SIRT1CTSDBACE1
SCHEMBL6558672 0.83 TRPV1 (0.49) TRPV1CTSDBACE1
SCHEMBL6559240 0.83 KCNE1 (0.44) SIRT2SIRT1
SCHEMBL6559522 0.81 TRPV1 (0.40) SIRT2TRPV1CTSDBACE1BACE2
SCHEMBL6560804 0.80 TRPV1 (0.48) TRPV1CTSDBACE1
SCHEMBL6559299 0.79 KCNE1 (0.43) SIRT2TRPV1SIRT1
SCHEMBL6560865 0.79 KCNE1 (0.43) SIRT2TRPV1SIRT1
SCHEMBL6558734 0.79 TRPV1 (0.39) SIRT2TRPV1SIRT1CTSDBACE1
SCHEMBL6558219 0.77 TRPV1 (0.39) SIRT2TRPV1SIRT1CTSDBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed