SCHEMBL2456728

SCHEMBL2456728

C=COCC1CCC(COC(=O)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.38
JMJD6 Q6NYC1 1/20 0.38
CHRNB2 P17787 4/20 0.37
CHRNA4 P43681 4/20 0.37
CHRNA7 P36544 3/20 0.37
CHRNA5 P30532 2/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL218978 0.94 DRD2 (0.45) DRD2DRD4CARM1PRMT6JMJD6
SCHEMBL217691 0.90 CARM1 (0.51) DRD2DRD4CARM1PRMT6ALDH1A1
SCHEMBL9548164 0.88 DRD2 (0.52) DRD2DRD4CARM1PRMT6MAPT
SCHEMBL25277718 0.87 NR1H4 (0.43) DRD2DRD4CARM1PRMT6JMJD6
SCHEMBL218458 0.83 JMJD6 (0.45) DRD2DRD4CARM1PRMT6JMJD6
SCHEMBL5859592 0.83 NR1H4 (0.35) DRD2DRD4MAPTALDH1A1PARP15
SCHEMBL87784 0.82 DRD2 (0.48) DRD2DRD4CARM1PRMT6MAPT
SCHEMBL14657241 0.81 CARM1 (0.47) DRD2DRD4CARM1PRMT6MAPT
SCHEMBL2296496 0.80 DRD2 (0.49) DRD2DRD4CARM1PRMT6MAPT
SCHEMBL27993876 0.80 ALDH1A1 (0.33) DRD2DRD4MAPTALDH1A1PARP15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006049729-A1 ULTRAVIOLET CURABLE BARRIER LAYERS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2006-05-11 WO claimed
US-20060088674-A1 Ultraviolet curable barrier layers HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2006-04-27 US claimed
US-8017718-B2 radiation curable conjugate addition reaction product of nucleophiles with vinyloxyalkyl acrylates, having high molecular weights and low volatility, useful as coatings or adhesives PPG INDUSTRIES OHIO, INC. (US) 2011-09-13 US disclosed
US-20080227927-A1 VINYL ETHERS AND COMPOSITIONS CONTAINING THEM PPG INDUSTRIES OHIO, INC. (US) 2008-09-18 US disclosed
US-7411033-B2 Vinyl ethers and compositions containing them PPG INDUSTRIES OHIO, INC. (US) 2008-08-12 US disclosed
US-20070293652-A1 VINYL ETHERS AND COMPOSITIONS CONTAINING THEM PPG INDUSTRIES OHIO, INC. 2007-12-20 US disclosed
WO-2006049729-A1 ULTRAVIOLET CURABLE BARRIER LAYERS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2006-05-11 WO disclosed
US-20060088674-A1 Ultraviolet curable barrier layers HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2006-04-27 US disclosed