SCHEMBL9728158

SCHEMBL9728158

NCCCC[C@@H](C=O)NC(=O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSK P43235 3/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 1/20 0.40
HTT P42858 3/20 0.40
CTSS P25774 7/20 0.37
CAPN1 P07384 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TPSAB1 Q15661 1/20 0.35

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
SCHEMBL9728206 0.83 HTT (0.36) CTSKCTSLCTSBHTTCTSS
SCHEMBL10436315 0.79 FOLH1 (0.49) PKMSMN1; SMN2CTSLHTTCTSS
SCHEMBL10436316 0.79 FOLH1 (0.49) PKMSMN1; SMN2CTSLHTTCTSS
SCHEMBL1799613 0.79 PKM (0.46) PKMSMN1; SMN2CTSLHTTCTSS
SCHEMBL9728155 0.78 PKM (0.45) PKMSMN1; SMN2HTTCTSS
SCHEMBL16488037 0.76 CTSS (0.50) PKMSMN1; SMN2CTSKCTSLCTSB
SCHEMBL13593497 0.75 CTSS (0.51) PKMSMN1; SMN2CTSKCTSLCTSB
SCHEMBL1839729 0.72 CTSS (0.69) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL1328599 0.71 SIRT6 (0.44) CTSK
SCHEMBL10421632 0.71 GSR (0.38) CTSKCTSLCTSB

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-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US claimed