SCHEMBL17450535

SCHEMBL17450535

CCOC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C1CCCN1C(=O)C(N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ ACE P12821 1/20 0.47
▸ KIF11 P52732 2/20 0.46
▸ OPRM1 P35372 3/20 0.45
▸ OPRD1 P41143 2/20 0.45
▸ OPRK1 P41145 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL17450539 0.87 ACE (0.45) LMNAACEOPRM1OPRD1OPRK1
SCHEMBL17450514 0.86 ACE (0.44) LMNAACEOPRM1OPRD1OPRK1
SCHEMBL17450537 0.83 PRCP (0.43) LMNAACESMN1; SMN2
SCHEMBL29638229 0.81 CMA1 (0.43) OPRM1OPRD1OPRK1
SCHEMBL17450538 0.75 CTSC (0.44) KIF11
SCHEMBL29777557 0.73 F2 (0.48) ACEOPRM1OPRD1
SCHEMBL18736930 0.73 KIF11 (0.48) KIF11
SCHEMBL30597004 0.73 ACE (0.58) LMNAACE
SCHEMBL8127147 0.73 KIF11 (0.67) KIF11
SCHEMBL9135894 0.73 KIF11 (0.67) KIF11

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
WO-2016009341-A1 THIOREDOXIN MIMETIC PRODRUGS AND USES THEREOF RADIKAL THERAPEUTICS INC. (US) 2016-01-21 — — WO disclosed
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