SCHEMBL8635913

SCHEMBL8635913

CCCC[C@@H]([C]=O)NC(=O)N1CCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.44
CTSK P43235 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LIPE Q05469 1/20 0.36
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL3968410 0.78 MMP1 (0.42) CTSSALDH1A1PKMSMN1; SMN2
SCHEMBL4323327 0.73 PLA2G2C (0.44) ALDH1A1
SCHEMBL1649294 0.73 PLA2G2C (0.44) ALDH1A1
SCHEMBL22507715 0.73 L3MBTL1 (0.47) CTSKL3MBTL1KMT2AMEN1TDP1
SCHEMBL21142831 0.73 L3MBTL1 (0.47) CTSKL3MBTL1KMT2AMEN1TDP1
SCHEMBL9728202 0.72 ALDH1A1 (0.35) CTSSKMT2AMEN1TDP1ALDH1A1
SCHEMBL9728204 0.72 ALDH1A1 (0.35) CTSSKMT2AMEN1TDP1ALDH1A1
SCHEMBL8635958 0.71 SMN1; SMN2 (0.39) KMT2AMEN1LMNAALDH1A1NPC1
SCHEMBL25106912 0.70 L3MBTL1 (0.43) CTSKL3MBTL1KMT2AMEN1TDP1
SCHEMBL9728155 0.70 PKM (0.45) CTSSPKMSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0852584-A1 PEPTIDE DERIVATIVES HAVING ENDOTHELIN RECEPTOR ANTAGONISTIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 1998-07-15 EP disclosed
WO-1997011961-A1 PEPTIDE DERIVATIVES HAVING ENDOTHELIN RECEPTOR ANTAGONISTIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 WO disclosed