SCHEMBL5326945

SCHEMBL5326945

CCCCOC(=O)[C@@H](COCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.53
TNF P01375 3/20 0.50
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
TAOK1 Q7L7X3 1/20 0.44
TAOK3 Q9H2K8 1/20 0.44
MDM4 O15151 1/20 0.44
TP53 P04637 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
SCHEMBL30844644 0.89 HDAC1 (0.52) TLR2TNFHDAC1HDAC2MDM4
SCHEMBL23811028 0.88 TLR2 (0.52) TLR2TNFHDAC1HDAC2MDM4
SCHEMBL30844620 0.88 TLR2 (0.52) TLR2TNFHDAC1HDAC2MDM4
SCHEMBL30861891 0.85 TNF (0.59) TLR2TNFHDAC1HDAC2MDM4
SCHEMBL3366333 0.85 TNF (0.59) TLR2TNFHDAC1HDAC2MDM4
SCHEMBL29401900 0.85 TNF (0.59) TLR2TNFHDAC1HDAC2MDM4
SCHEMBL31186620 0.85 TNF (0.59) TLR2TNFHDAC1HDAC2MDM4
SCHEMBL120685 0.85 TNF (0.59) TLR2TNFHDAC1HDAC2MDM4
SCHEMBL29398946 0.85 TNF (0.59) TLR2TNFHDAC1HDAC2MDM4
SCHEMBL2589116 0.85 TNF (0.59) TLR2TNFHDAC1HDAC2MDM4

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-2007109615-A2 β -LACTAMYL VASOPRESSIN V2 ANTAGONISTS AZEVAN PHARMACEUTICALS, INC. (US) 2007-09-27 WO disclosed