SCHEMBL301612

SCHEMBL301612

CCC(=CC(C=Cc1ccccc1)=CC#N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 3/20 0.41
GLA P06280 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 5/20 0.40
MAPT P10636 4/20 0.40
HDAC3 O15379 3/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
PLIN1 O60240 2/20 0.40
RECQL P46063 2/20 0.40
PLIN5 Q00G26 2/20 0.40
ABHD5 Q8WTS1 2/20 0.40
CYP1A2 P05177 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL4324631 0.87 HDAC3 (0.42) NPC1L3MBTL1TDP1GLAHAO1
SCHEMBL6904913 0.84 HAO1 (0.39) NPC1L3MBTL1TDP1GLAHAO1
SCHEMBL4949600 0.82 GLA (0.49) NPC1L3MBTL1TDP1GLAHAO1
SCHEMBL3464257 0.80 NPC1 (0.43) NPC1L3MBTL1TDP1GLAHAO1
SCHEMBL2785101 0.78 CYP3A4 (0.41) NPC1ALDH1A1LMNAMAPTPLIN1
SCHEMBL5409190 0.77 MAPT (0.48) L3MBTL1TDP1GLAHAO1ALDH1A1
SCHEMBL2396877 0.75 L3MBTL1 (0.37) NPC1L3MBTL1TDP1GLAHAO1
SCHEMBL64795 0.75 HDAC3 (0.58) L3MBTL1TDP1GLAHAO1ALDH1A1
SCHEMBL8164378 0.74 TDP1 (0.42) NPC1L3MBTL1TDP1GLAALDH1A1
SCHEMBL6492591 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404941-A1 Method of manufacturing rubbery polymer and rubber reinforced thermoplastic resin composition using the same LG Chem, Ltd. (KR) 2012-01-11 EP claimed
EP-1034726-A1 A method of connecting an anchoring piece of plastics material to a structural element of wood, anchoring piece, structural element and slatted bed base according to that method Recticel Bedding (Schweiz) GmbH (CH) 2000-09-13 EP claimed
US-9771470-B2 Rubber polymer and method of preparing the same LG CHEM, LTD. (KR) 2017-09-26 US disclosed
US-20160053099-A1 RUBBER POLYMER AND METHOD OF PREPARING THE SAME LG CHEM, LTD. (KR) 2016-02-25 US disclosed
CN-101161755-B Antifogging surface treatment agent and antifogging resin chip DAICEL POLYMER LTD 2014-07-09 CN disclosed
CN-101161756-B Antifogging surface treatment agent and antifogging resin chip DAICEL POLYMER LTD 2013-02-27 CN disclosed
EP-2404941-A1 Method of manufacturing rubbery polymer and rubber reinforced thermoplastic resin composition using the same LG Chem, Ltd. (KR) 2012-01-11 EP disclosed
CN-101161756-A Antifogging surface treatment agent and antifogging resin chip DAICEL POLYMER LTD (JP) 2008-04-16 CN disclosed
CN-101161755-A Antifogging surface treatment agent and antifogging resin chip DAICEL POLYMER LTD (JP) 2008-04-16 CN disclosed
EP-1034726-A1 A method of connecting an anchoring piece of plastics material to a structural element of wood, anchoring piece, structural element and slatted bed base according to that method Recticel Bedding (Schweiz) GmbH (CH) 2000-09-13 EP disclosed