SCHEMBL20734906

SCHEMBL20734906

CC(C)(C)OC(=O)N1C(=O)C=C(OCc2ccc3ccccc3c2)C1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 8/20 0.47
KLK5 Q9Y337 7/20 0.44
PRSS1 P07477 3/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
MRGPRX4 Q96LA9 1/20 0.38
YAP1 P46937 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAOB P27338 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G5 P39877 1/20 0.37
GHSR Q92847 1/20 0.36

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
SCHEMBL20734915 1.00 KLK7 (0.47) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL20734889 0.87 KLK7 (0.48) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL20734890 0.87 KLK7 (0.48) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL20734893 0.87 KLK7 (0.49) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL20734811 0.87 KLK7 (0.49) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL20734931 0.86 KLK7 (0.47) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL20734886 0.86 KLK7 (0.48) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL20734905 0.85 KLK7 (0.46) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL22064650 0.85 KLK7 (0.46) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL22064295 0.83 KLK7 (0.46) KLK7KLK5PRSS1PRSS2PRSS3

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
WO-2019029274-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND AND PREPARATION METHOD THEREFOR 北京卓凯生物技术有限公司 2019-02-14 WO disclosed
WO-2019029273-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 北京卓凯生物技术有限公司 2019-02-14 WO disclosed