SCHEMBL21393119

SCHEMBL21393119

CC(C)c1ncc(O)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.49
DAO P14920 4/20 0.33
MTOR P42345 1/20 0.31

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
SCHEMBL21707884 0.71 CAPN1 (0.74) CAPN1DAO
SCHEMBL10197120 0.70
SCHEMBL22907600 0.68 HPGD (0.39)
SCHEMBL29060381 0.67 CAPN1 (0.33) CAPN1
SCHEMBL21333942 0.66 CAPN1 (1.00) CAPN1DAO
SCHEMBL22571174 0.65 CHEK1 (0.34) CAPN1DAO
SCHEMBL18080329 0.65 CAPN1 (0.39) CAPN1
SCHEMBL18080325 0.64 CAPN1 (0.38) CAPN1DAO
SCHEMBL21841298 0.64 BCL2 (0.41)
SCHEMBL20204612 0.63 CA1 (0.38) DAO

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-2019180683-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-26 WO disclosed