SCHEMBL28301449

SCHEMBL28301449

CC(C)(C)NC(=O)OCCCS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
EPHX1 P07099 1/20 0.34
ACHE P22303 13/20 0.33
PLA2G2C Q5R387 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
SCHEMBL13234061 0.89 MMP12 (0.31) NAAA
SCHEMBL27934842 0.78 EPHX1 (0.39) EPHX1ACHE
SCHEMBL11100479 0.77 EPHX1 (0.52) EPHX1ACHE
SCHEMBL17393935 0.77 ACHE (0.44) EPHX1ACHE
Ammonia Solution, Strong SCHEMBL27626603 0.76 EPHX1 (0.50) EPHX1ACHE
SCHEMBL21059108 0.76 EPHX1 (0.60) NAAAEPHX1ACHE
SCHEMBL29148821 0.76 EPHX1 (0.37) EPHX1ACHE
SCHEMBL28313907 0.76 EPHX1 (0.37) EPHX1ACHE
SCHEMBL12057397 0.76 EPHX1 (0.37) EPHX1ACHE
SCHEMBL13278329 0.76 ACHE (0.51) EPHX1ACHE

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-109897011-A A kind of IDO inhibitor and its application 上海华汇拓医药科技有限公司 2019-06-18 CN disclosed
CN-104487431-A Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN LA ROCHE 2015-04-01 CN disclosed