SCHEMBL28816888

SCHEMBL28816888

CCCCC(Cc1cn[nH]c1)OC=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.36
NOS2 P35228 1/20 0.36
CTSL P07711 3/20 0.35
CTSB P07858 3/20 0.35
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
CTSH P09668 2/20 0.32

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
SCHEMBL27525176 0.85 NOS2 (0.40) CTSKNOS2CTSLCTSB
SCHEMBL28858540 0.83 NOS2 (0.36) NOS2
SCHEMBL28313701 0.81 NOS2 (0.40) NOS2
SCHEMBL28868753 0.75 LDHA (0.41) NOS2
SCHEMBL28787513 0.74 ROCK1 (0.37) NOS2
SCHEMBL28047241 0.74 NOS2 (0.33) NOS2
SCHEMBL28039334 0.74 CTSK (0.32) CTSKCTSLCTSBPRKCAPRKCD
SCHEMBL27972554 0.74 ROCK2 (0.41) NOS2
SCHEMBL28036513 0.74 MEN1 (0.34) CTSK
SCHEMBL27909167 0.74 CTSK (0.32) CTSKCTSLCTSBCTSH

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
CN-104774205-A N1/N2-lactam acetyl-coa carboxylase inhibitors PFIZER 2015-07-15 CN disclosed
CN-103189377-B N1/n2-lactam acetyl-coa carboxylase inhibitors PFIZER 2015-02-25 CN disclosed