SCHEMBL8629641

SCHEMBL8629641

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.38
GLA P06280 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAOB P27338 3/20 0.36
EGFR P00533 3/20 0.36
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP19A1 P11511 1/20 0.36
MAOA P21397 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 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
SCHEMBL624043 0.88 GLA (0.41) ALDH1A1LMNAGLATDP1MAOB
SCHEMBL5613684 0.84 SMN1; SMN2 (0.34) ALDH1A1LMNAGLATDP1CYP2C19
Acrylonitrile SCHEMBL21221534 0.83 GLA (0.40) ALDH1A1LMNAGLATDP1MAOB
SCHEMBL17746649 0.83 LMNA (0.39) ALDH1A1LMNAGLATDP1MAOB
SCHEMBL1803176 0.82 CASP1 (0.39) ALDH1A1LMNAGLATDP1SMN1; SMN2
SCHEMBL4557885 0.80 GLA (0.46) ALDH1A1LMNAGLATDP1MAOB
SCHEMBL11416086 0.79 ALDH1A1 (0.39) ALDH1A1LMNAGLATDP1MAOB
Acrylonitrile SCHEMBL29268884 0.77 ALDH1A1 (0.34) ALDH1A1LMNAGLATDP1MAOB
SCHEMBL7644846 0.75 TDP1 (0.36) ALDH1A1LMNAGLATDP1MAOB
Acrylonitrile SCHEMBL22656767 0.75 GLA (0.44) ALDH1A1LMNAGLATDP1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1423353-A Active material for cell and preparing method SAMSUNG SDI CO LTD (KR) 2003-06-11 CN claimed
US-5804353-A ELASTOMERIC PRINTING PLATES E. I. DUPONT DE NEMOURS AND COMPANY (US) 1998-09-08 US claimed
EP-0640044-B1 A PROCESS FOR MAKING A MULTILAYER FLEXOGRAPHIC PRINTING PLATE DU PONT (US) 1996-03-06 EP claimed
CN-109863189-A Radiation Curable Compositions Containing Polyester Acrylates 巴斯夫欧洲公司 2019-06-07 CN disclosed