SCHEMBL20064066

SCHEMBL20064066

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
CTSS P25774 3/20 0.40
SYK P43405 1/20 0.39
CYP2D6 P10635 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9606612 0.95 CTSK (0.45) CTSKCA1CA2CA7TSHR
SCHEMBL28175055 0.95 CTSK (0.45) CTSKCA1CA2CA7TSHR
SCHEMBL23487152 0.89 CTSK (0.43) CTSKCA1CA2CA7CTSS
SCHEMBL31362911 0.89 CTSK (0.43) CTSKCA1CA2CA7CTSS
SCHEMBL20064346 0.87 CTSK (0.42) CTSKCA1CA2CA7CTSS
SCHEMBL16512842 0.85 CTSK (0.41) CTSKCA1CA2CA7CTSS
SCHEMBL27542782 0.84 CTSK (0.51) CTSKCTSS
SCHEMBL22838055 0.84 CTSK (0.49) CTSKCTSS
SCHEMBL211543 0.84 CA2 (0.43) CTSKCA1CA2CA7TSHR
SCHEMBL211542 0.84 CA2 (0.43) CTSKCA1CA2CA7TSHR

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