SCHEMBL377347

SCHEMBL377347

CC(=O)NC(CS)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
RECQL P46063 2/20 0.55
KDM4E B2RXH2 1/20 0.55
THRB P10828 1/20 0.55
ALOX15 P16050 1/20 0.55
NFKB1 P19838 1/20 0.55
PTGS2 P35354 1/20 0.55
THPO P40225 1/20 0.55
BLM P54132 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 3/20 0.35
POLB P06746 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
ACE P12821 1/20 0.34

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
SCHEMBL377348 1.00 MAPT (0.55) MAPTRECQLKDM4ETHRBALOX15
SCHEMBL7079252 0.85 CYP1A2 (0.47) SMN1; SMN2CA1CA2CA7CYP1A2
SCHEMBL6237621 0.85 CYP1A2 (0.47) SMN1; SMN2CA1CA2CA7CYP1A2
SCHEMBL918771 0.81 ITGA4 (0.37) MAPTRECQLKDM4ETHRBALOX15
SCHEMBL7999610 0.80 KDM4E (0.63) MAPTRECQLKDM4ETHRBALOX15
SCHEMBL7999598 0.80 KDM4E (0.63) MAPTRECQLKDM4ETHRBALOX15
SCHEMBL112331 0.80 SMN1; SMN2 (0.63) MAPTRECQLKDM4ETHRBALOX15
SCHEMBL14088106 0.80 SMN1; SMN2 (0.63) MAPTRECQLKDM4ETHRBALOX15
SCHEMBL2298043 0.80 KDM4E (0.63) MAPTRECQLKDM4ETHRBALOX15
SCHEMBL5599294 0.80 KDM4E (0.63) MAPTRECQLKDM4ETHRBALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140357602-A1 Combination Therapies For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2014-12-04 US disclosed
CN-102421424-A Combination therapies for treating metabolic disorders ERIC MAYOUX 2012-04-18 CN disclosed
EP-2408441-A1 COMBINATION THERAPIES FOR TREATING METABOLIC DISORDERS Genmedica Therapeutics SL (ES) 2012-01-25 EP disclosed
US-20100239552-A1 Combination Therapies for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2010-09-23 US disclosed
WO-2010106083-A1 COMBINATION THERAPIES FOR TREATING METABOLIC DISORDERS GENMEDICA THERAPEUTICS SL (ES) 2010-09-23 WO disclosed