SCHEMBL3682985

SCHEMBL3682985

C#CCCCCCC(C)N

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
USP2 O75604 3/20 0.44
CYP3A4 P08684 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
TRPA1 O75762 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL15541982 1.00 OPRM1 (0.48) OPRM1USP2CYP3A4SMN1; SMN2TP53
SCHEMBL18557549 0.98
SCHEMBL16288516 0.80 USP2 (0.47) USP2CYP3A4SMN1; SMN2TP53ALDH1A1
SCHEMBL9205300 0.80 USP2 (0.47) USP2CYP3A4SMN1; SMN2TP53ALDH1A1
SCHEMBL378988 0.79
SCHEMBL28539486 0.79
SCHEMBL7734724 0.79 OPRM1 (0.71) OPRM1TP53ALDH1A1MAPK1TRPV1
SCHEMBL49007 0.79 OPRM1 (0.71) OPRM1TP53ALDH1A1MAPK1TRPV1
SCHEMBL10922365 0.79 OPRM1 (0.71) OPRM1TP53ALDH1A1MAPK1TRPV1
SCHEMBL26101017 0.79 OPRM1 (0.71) OPRM1TP53ALDH1A1MAPK1TRPV1

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
US-20100298504-A1 AMPHIPHILIC POLYMER AND PROCESSES OF FORMING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-11-25 US disclosed
WO-2009038544-A1 AMPHIPHILIC POLYMER AND PROCESSES OF FORMING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-03-26 WO disclosed