SCHEMBL3392448

SCHEMBL3392448

CCCCCC(C)COCC(O)COCC(C)CCCCC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.44
LPAR5 Q9H1C0 1/20 0.42
ACE2 Q9BYF1 1/20 0.41
SPHK1 Q9NYA1 2/20 0.41
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR84 Q9NQS5 5/20 0.38
OPRM1 P35372 1/20 0.38
KDM4E B2RXH2 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL23599230 0.93 USP2 (0.44) USP2HTTLPAR5ACE2SPHK1
SCHEMBL15694584 0.92 USP2 (0.43) USP2HTTLPAR5ACE2SPHK1
SCHEMBL24053181 0.90 USP2 (0.59) USP2HTTACE2SPHK1HSD17B10
SCHEMBL9750819 0.89 OPRM1 (0.46) USP2ACE2SPHK1OPRM1
SCHEMBL3360823 0.89 USP2 (0.41) USP2HTTLPAR5ACE2SPHK1
SCHEMBL9750779 0.87 ACE2 (0.47) USP2ACE2SPHK1GPR84OPRM1
SCHEMBL28614253 0.87 ACE2 (0.47) USP2ACE2SPHK1GPR84OPRM1
SCHEMBL28945775 0.87 ACE2 (0.47) USP2ACE2SPHK1GPR84OPRM1
SCHEMBL28945783 0.87 ACE2 (0.47) USP2ACE2SPHK1GPR84OPRM1
SCHEMBL27658942 0.87 ACE2 (0.47) USP2ACE2SPHK1GPR84OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168450-A1 NOVEL BRANCHED ALKOXYLATES THOEN JOHAN A 2010-07-01 US disclosed