SCHEMBL20054427

SCHEMBL20054427

CC1(C(N)=O)OCCCO1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL15116552 0.79 MAPK1 (0.30)
SCHEMBL5172495 0.77 FFAR3 (0.38) LMNABLMPMP22SMN1; SMN2
SCHEMBL15125209 0.75
SCHEMBL1872142 0.73 PKM (0.31) PKML3MBTL1
SCHEMBL15114280 0.71
SCHEMBL15931353 0.71 NPSR1 (0.38) ALDH1A1
SCHEMBL11928221 0.71
SCHEMBL26111678 0.71
SCHEMBL20054406 0.71 PKM (0.33) PKMLMNAALOX15BLMPMP22
SCHEMBL20054289 0.71 L3MBTL1 (0.36) PKMLMNAALOX15BLMPMP22

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
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed