Sugi Predict

Sugi Predict / Compounds / SCHEMBL20064346

SCHEMBL20064346

SCHEMBL20064346

CCC(CCCCC(C)=O)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 13/20 0.42
▸ CTSS P25774 4/20 0.40
▸ SYK P43405 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL16512842 0.87 CTSK (0.41) CTSKCTSSSYKCA1CA2
SCHEMBL20064066 0.87 CTSK (0.44) CTSKCTSSSYKCA1CA2
SCHEMBL27542782 0.86 CTSK (0.51) CTSKCTSS
Hydrochloric Acid SCHEMBL27541055 0.84 CTSK (0.50) CTSKCTSS
SCHEMBL28470420 0.84 CTSK (0.50) CTSKCTSS
SCHEMBL28879680 0.84 CTSK (0.50) CTSKCTSS
SCHEMBL18122641 0.84 CTSK (0.50) CTSKCTSS
SCHEMBL28166713 0.84 CTSK (0.50) CTSKCTSS
SCHEMBL23515315 0.84 CTSK (0.56) CTSKCTSS
SCHEMBL25735228 0.84 CTSK (0.56) CTSKCTSS

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-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 — — WO disclosed