SCHEMBL14347635

SCHEMBL14347635

CC(C)(C)c1nc(=O)oc2c(CCS(C)(=O)=O)cccc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.32
ELANE P08246 3/20 0.32
MTNR1A P48039 3/20 0.31
MTNR1B P49286 3/20 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
SCHEMBL14347284 0.87 LMNA (0.35) NQO2ELANE
SCHEMBL14374837 0.81 ELANE (0.37) NQO2ELANEMTNR1AMTNR1B
SCHEMBL14347313 0.81 KDM4E (0.36) ELANE
SCHEMBL14347415 0.79 ELANE (0.35) ELANE
SCHEMBL14347309 0.77 KDM4E (0.31)
SCHEMBL14347640 0.77 KDM4E (0.43) MTNR1AMTNR1B
SCHEMBL14347277 0.74 KDM4E (0.56)
SCHEMBL14347543 0.73 TNKS (0.39) ELANE
SCHEMBL8088044 0.72 GLA (0.35) NQO2MTNR1AMTNR1B
SCHEMBL14347495 0.70 MAOA (0.49)

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
US-7312211-B2 Pryanone compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2007-12-25 US disclosed