SCHEMBL15525965

SCHEMBL15525965

CCc1c(NC(=O)c2ccc(C3CC3)nc2)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 9/20 0.46
CXCR2 P25025 5/20 0.43
HDAC2 Q92769 1/20 0.38
P4HTM Q9NXG6 1/20 0.35
FASN P49327 1/20 0.34

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
SCHEMBL15526258 0.86 LIPE (0.45) LIPECXCR2HDAC2
SCHEMBL15607766 0.86 LIPE (0.43) LIPECXCR2HDAC2FASN
SCHEMBL3705786 0.73 LIPE (0.42) LIPEHDAC2
SCHEMBL15607794 0.72 HDAC1 (0.44) LIPEHDAC2
SCHEMBL29709592 0.72 HDAC1 (0.44) LIPEHDAC2
SCHEMBL15607774 0.70 MAPT (0.43) HDAC2FASN
SCHEMBL31703994 0.69 KDR (0.44) HDAC2FASN
SCHEMBL28643584 0.69 NPC1 (0.46) LIPEHDAC2
SCHEMBL12650248 0.68 LIPE (0.42) LIPEHDAC2
SCHEMBL28793298 0.67 LIPE (0.52) LIPECXCR2P4HTM

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-2013157021-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2013-10-24 WO disclosed