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) —
SCHEMBL111172 0.74 KIF11 (0.43) NOS1NOS2NOS3
SCHEMBL525544 0.74 PTGS1 (0.48) ALOX15
SCHEMBL12438525 0.74 KIF11 (0.43) NOS1NOS2NOS3
SCHEMBL111173 0.74 KIF11 (0.43) NOS1NOS2NOS3
SCHEMBL2157572 0.74 PTGS1 (0.32) —
SCHEMBL998406 0.74 ALOX15 (0.44) ALOX15NOS1

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
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