SCHEMBL9728155

SCHEMBL9728155

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

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSS P25774 13/20 0.44
HTT P42858 3/20 0.40

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
SCHEMBL9728204 0.83 ALDH1A1 (0.35) CTSSHTT
SCHEMBL9728202 0.83 ALDH1A1 (0.35) CTSSHTT
SCHEMBL10436315 0.79 FOLH1 (0.49) PKMSMN1; SMN2CTSSHTT
SCHEMBL1799613 0.79 PKM (0.46) PKMSMN1; SMN2CTSSHTT
SCHEMBL10436316 0.79 FOLH1 (0.49) PKMSMN1; SMN2CTSSHTT
SCHEMBL9728158 0.78 PKM (0.45) PKMSMN1; SMN2CTSSHTT
SCHEMBL6802014 0.75 CTSS (0.81) CTSS
SCHEMBL28335157 0.72 GSR (0.44)
SCHEMBL1328597 0.71 SIRT6 (0.44)
SCHEMBL1661759 0.71 SIRT6 (0.44)

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