SCHEMBL3360823

SCHEMBL3360823

CCCCCC(C)COCC(O)CCl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.40
ACE2 Q9BYF1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SPHK1 Q9NYA1 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
GPR84 Q9NQS5 4/20 0.34
FAAH O00519 1/20 0.34
OPRM1 P35372 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL3392448 0.89 USP2 (0.46) USP2HTTACE2L3MBTL1SPHK1
SCHEMBL15694584 0.85 USP2 (0.43) USP2HTTACE2L3MBTL1SPHK1
SCHEMBL24053181 0.84 USP2 (0.59) USP2HTTACE2L3MBTL1SPHK1
SCHEMBL9750819 0.82 OPRM1 (0.46) USP2ACE2SPHK1OPRM1
SCHEMBL8091775 0.82 USP2 (0.44) USP2HTTSPHK1CYP1A2CYP3A4
SCHEMBL8078612 0.82 USP2 (0.44) USP2HTTSPHK1CYP1A2CYP3A4
SCHEMBL23599230 0.82 USP2 (0.44) USP2HTTACE2L3MBTL1SPHK1
SCHEMBL171062 0.81 USP2 (0.40) USP2HTTL3MBTL1CYP1A2CYP3A4
SCHEMBL9750779 0.80 ACE2 (0.47) USP2ACE2SPHK1GPR84OPRM1
SCHEMBL28614253 0.80 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168450-A1 NOVEL BRANCHED ALKOXYLATES THOEN JOHAN A 2010-07-01 US disclosed
EP-2152653-A1 NOVEL ALKOXYLATE-CONTAINING COMPOSITIONS Dow Global Technologies Inc. (US) 2010-02-17 EP disclosed
EP-2139833-A1 NOVEL BRANCHED ALKOXYLATES Dow Global Technologies Inc. (US) 2010-01-06 EP disclosed
WO-2008134390-A1 NOVEL BRANCHED ALKOXYLATES DOW GLOBAL TECHNOLOGIES INC. (US) 2008-11-06 WO disclosed
WO-2008134389-A1 NOVEL ALKOXYLATE-CONTAINING COMPOSITIONS DOW GLOBAL TECHNOLOGIES INC. (US) 2008-11-06 WO disclosed