SCHEMBL19820105

SCHEMBL19820105

CC(C)(C)OC(=O)/N=C(\NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC=O)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.43
CTSK P43235 5/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CAPN1 P07384 1/20 0.41
CXCR3 P49682 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
HDAC4 P56524 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC6 Q9UBN7 1/20 0.37
F10 P00742 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 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
SCHEMBL19820104 1.00 CTSS (0.43) CTSSCTSKCA1CA2CAPN1
SCHEMBL23626318 0.90 CTSK (0.49) CTSSCTSKCA1CA2CAPN1
SCHEMBL21506938 0.90 CTSK (0.45) CTSSCTSKCA1CA2CAPN1
SCHEMBL16504609 0.89 CTSS (0.48) CTSSCTSKCA1CA2CAPN1
SCHEMBL16572281 0.89 CTSS (0.48) CTSSCTSKCA1CA2CAPN1
SCHEMBL16504508 0.89 CTSS (0.48) CTSSCTSKCA1CA2CAPN1
SCHEMBL16504607 0.89 CTSS (0.48) CTSSCTSKCA1CA2CAPN1
SCHEMBL16572287 0.89 CTSS (0.48) CTSSCTSKCA1CA2CAPN1
SCHEMBL16504677 0.89 CTSS (0.48) CTSSCTSKCA1CA2CAPN1
SCHEMBL16504678 0.89 CTSS (0.48) CTSSCTSKCA1CA2CAPN1

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-9878988-B2 Dendrimer like amino amides possessing sodium channel blocker activity for the treatment of dry eye and other mucosal diseases PARION SCIENCES, INC. (US) 2018-01-30 US disclosed