SCHEMBL8979970

SCHEMBL8979970

CCCCC(CCCC)OC(C)N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
SPHK1 Q9NYA1 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.37
SLC15A1 P46059 1/20 0.36
DNM1 Q05193 3/20 0.36
DPP7 Q9UHL4 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
CYP3A4 P08684 1/20 0.32
LAP3 P28838 1/20 0.32

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
SCHEMBL24087980 0.95 OPRM1 (0.54) OPRM1SPHK1ALDH1A1TDP1TP53
SCHEMBL8979959 0.86 OPRM1 (0.42) OPRM1SPHK1TP53
SCHEMBL2843204 0.83 DNM1 (0.43) OPRM1ALDH1A1TDP1DNM1CA1
SCHEMBL8979964 0.82 OPRM1 (0.44) OPRM1SPHK1ALDH1A1TDP1TP53
Ammonia Solution, Strong SCHEMBL1333604 0.80 DNM1 (0.41) OPRM1ALDH1A1TDP1DNM1CA1
SCHEMBL14747631 0.79 DNM1 (0.36) OPRM1ALDH1A1TDP1DNM1CA1
Propionic Acid SCHEMBL2122184 0.78 GPR84 (0.46) OPRM1SPHK1ALDH1A1TP53SLC1A2
SCHEMBL9193708 0.78 OPRM1 (0.38) OPRM1TP53
SCHEMBL3808027 0.78 DNM1 (0.46) OPRM1DNM1CA2
SCHEMBL2541482 0.78 DNM1 (0.39) OPRM1ALDH1A1TDP1DNM1CA1

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