SCHEMBL8897022

SCHEMBL8897022

CCCC(C)(C)C(=O)CC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.37
ELANE P08246 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FDPS P14324 2/20 0.33
FFAR3 O14843 1/20 0.33
FAAH O00519 4/20 0.31
CCR2 P41597 1/20 0.31
DRD2 P14416 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
CES1 P23141 3/20 0.30
CES2 O00748 2/20 0.30

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
SCHEMBL14042583 0.84 FAAH (0.38) MEN1KMT2AALDH1A1HSD17B10FDPS
SCHEMBL28946097 0.81 CES1 (0.41) TDP1ELANEMEN1KMT2AALDH1A1
SCHEMBL8895992 0.80 CES2 (0.45) MEN1KMT2AHSD17B10FDPSFAAH
SCHEMBL13267820 0.80 CES2 (0.45) MEN1KMT2AHSD17B10FDPSFAAH
SCHEMBL16259523 0.79 LMNA (0.31) TDP1ALDH1A1LMNAHSD17B10FDPS
SCHEMBL122165 0.79 TDP1 (0.30) TDP1ALDH1A1FFAR3
SCHEMBL3597890 0.79 ELANE (0.35) TDP1ELANEMEN1KMT2AALDH1A1
SCHEMBL16064919 0.78 ALDH1A1 (0.37) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL410406 0.77 MEN1 (0.38) TDP1ELANEMEN1KMT2AALDH1A1
SCHEMBL13184333 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101299120-B Vertical alignment type liquid crystal aligning agent and liquid crystal display element JSP CORP 2012-04-04 CN claimed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
WO-2014096179-A1 NOVEL GLP-1 RECEPTOR AGONISTS WITH CHOLESTEROL EFFLUX ACTIVITY NOVO NORDISK A/S (DK) 2014-06-26 WO disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
CN-1209360-C 16-halogen-epothilones derivatives, preparation method and medical application thereof SCHERIING AG (DE) 2005-07-06 CN disclosed
CN-1341115-A 16-halogen-epothilones derivatives, preparation method and medical application thereof SCHERIING AG (DE) 2002-03-20 CN disclosed
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed