SCHEMBL8979946

SCHEMBL8979946

CCCCCC(N)OC(CC)CCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
SPHK1 Q9NYA1 2/20 0.36
TP53 P04637 2/20 0.35
LAP3 P28838 2/20 0.35
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
CYP2D6 P10635 2/20 0.34
PLA2G1B P04054 1/20 0.34
PLA2G2A P14555 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL8979955 0.94 OPRM1 (0.44) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL8979935 0.92 OPRM1 (0.43) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL4810115 0.85 OPRM1 (0.44) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL28467664 0.83 OPRM1 (0.43) OPRM1SPHK1TP53LAP3CYP2D6
SCHEMBL28092875 0.82 OPRM1 (0.55) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL28458489 0.80 OPRM1 (0.52) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL27221680 0.80 OPRM1 (0.52) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL2097855 0.80 PRKCA (0.31)
SCHEMBL3694779 0.80 OPRM1 (0.52) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL134089 0.77 OPRM1 (0.42) OPRM1SPHK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576445-B1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS SAN MARTINO SPA (IT) 1996-05-15 EP claimed
WO-1992016346-A1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS SILVANI ANTINCENDI S.P.A (IT) 1992-10-01 WO claimed
EP-0576445-B1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS SAN MARTINO SPA (IT) 1996-05-15 EP disclosed
US-5468422-A Composition for use in washing and cleansing vulcanization molds SILVANI ANTINCEDI (IT) 1995-11-21 US disclosed
EP-0576445-A1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS. SILVANI ANTINCENDI SPA (IT) 1994-01-05 EP disclosed
WO-1992016346-A1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS SILVANI ANTINCENDI S.P.A (IT) 1992-10-01 WO disclosed