SCHEMBL14645189

SCHEMBL14645189

NC(=O)OC(=O)[C@@H](N)CSSC[C@H](N)C(=O)OC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.32
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
NOS3 P29474 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
SCHEMBL756208 0.81 KIF11 (0.33)
SCHEMBL8933766 0.81
SCHEMBL2400319 0.80 ALDH1A1 (0.38) NOS1NOS2NOS3
SCHEMBL457218 0.78 PTGS1 (0.43)
SCHEMBL111173 0.74 KIF11 (0.43) NOS1NOS2NOS3
SCHEMBL515397 0.74
SCHEMBL12438525 0.74 KIF11 (0.43) NOS1NOS2NOS3
SCHEMBL111171 0.74 KIF11 (0.43) NOS1NOS2NOS3
SCHEMBL998406 0.74 ALOX15 (0.44) ALOX15NOS1
SCHEMBL2157572 0.74 PTGS1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9549964-B2 Diagnosis, prognosis, and treatment of kidney disease BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2017-01-24 US disclosed
US-20140228296-A1 DIAGNOSIS, PROGNOSIS, AND TREATMENT OF KIDNEY DISEASE BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2014-08-14 US disclosed
WO-2013010085-A2 DIAGNOSIS, PROGNOSIS, AND TREATMENT OF KIDNEY DISEASE BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2013-01-17 WO disclosed