SCHEMBL28853056

SCHEMBL28853056

CCNCCP(=O)(OC(C)(C)C)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.38
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
PPARD Q03181 1/20 0.30

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
SCHEMBL28185095 0.80
SCHEMBL27904194 0.75 PPARD (0.31) TSHRPPARD
SCHEMBL29715936 0.73 PPARD (0.50) PPARD
SCHEMBL553419 0.72 SAT1 (0.40) SAT1CYP2C19MEN1GLAKMT2A
SCHEMBL28462221 0.70 AOX1 (0.33)
SCHEMBL28470222 0.70 PPARD (0.37) PPARD
SCHEMBL21461734 0.69 TSHR (0.46) TSHR
SCHEMBL6666472 0.69
SCHEMBL28665434 0.69 ALDH1A1 (0.36) CYP1A2TSHR
SCHEMBL15395698 0.69

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
CN-105367482-B N acyl sulfonamides apoptosis accelerator 阿斯利康(瑞典)有限公司 2017-12-12 CN disclosed