SCHEMBL8979945

SCHEMBL8979945

CCCCCC(C)OC(N)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
SPHK1 Q9NYA1 2/20 0.42
LAP3 P28838 2/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
S1PR2 O95136 5/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR4 O95977 4/20 0.36
FAAH O00519 2/20 0.36
CYP2D6 P10635 2/20 0.35
PLA2G1B P04054 1/20 0.35
PLA2G2A P14555 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 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
SCHEMBL3263688 0.93 ALDH1A1 (0.43) OPRM1SPHK1LAP3TP53ALDH1A1
SCHEMBL1484167 0.81 OPRM1 (0.50) OPRM1SPHK1TP53FAAHLMNA
SCHEMBL8979932 0.80 OPRM1 (0.41) OPRM1SPHK1LAP3TP53ALDH1A1
SCHEMBL5012572 0.79 OPRM1 (0.48) OPRM1SPHK1FAAHLMNACNR1
SCHEMBL1930626 0.79 OPRM1 (0.48) OPRM1SPHK1FAAHLMNACNR1
SCHEMBL1311730 0.79 OPRM1 (0.48) OPRM1SPHK1FAAHLMNACNR1
SCHEMBL534657 0.79 OPRM1 (0.48) OPRM1SPHK1FAAHLMNACNR1
SCHEMBL1932307 0.79 OPRM1 (0.48) OPRM1SPHK1FAAHLMNACNR1
SCHEMBL6420889 0.79 OPRM1 (0.48) OPRM1SPHK1FAAHLMNACNR1
SCHEMBL7757207 0.79 OPRM1 (0.48) OPRM1SPHK1FAAHLMNACNR1

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 7 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
EP-0576445-A1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS. SILVANI ANTINCENDI SPA (IT) 1994-01-05 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