SCHEMBL6518213

SCHEMBL6518213

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
PLIN1 O60240 2/20 0.39
RECQL P46063 2/20 0.39
PLIN5 Q00G26 2/20 0.39
ABHD5 Q8WTS1 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
TNKS O95271 1/20 0.39

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
SCHEMBL9190659 0.86 KDM4E (0.38) LMNAMAPTALDH1A1HDAC3HDAC4
SCHEMBL353086 0.84 GLA (0.42) LMNAMAPTALDH1A1HDAC3HDAC4
SCHEMBL7644644 0.81 MCL1 (0.38) LMNAMAPTALDH1A1HDAC3HDAC4
SCHEMBL2246620 0.80 HDAC3 (0.47) LMNAMAPTALDH1A1HDAC3HDAC4
SCHEMBL10901492 0.80 KDM4E (0.34) LMNAMAPTALDH1A1HDAC3HDAC4
SCHEMBL1690910 0.80 GLA (0.45) LMNAMAPTALDH1A1HDAC3HDAC4
SCHEMBL11031369 0.78 KDM4E (0.35) LMNAMAPTALDH1A1HDAC3HDAC4
SCHEMBL9861601 0.77 KDM4E (0.37) LMNAMAPTALDH1A1HDAC3HDAC4
Acrylonitrile SCHEMBL9249177 0.77 GLA (0.38) LMNAMAPTALDH1A1HDAC3HDAC4
SCHEMBL8972957 0.77 GLA (0.36) LMNAMAPTALDH1A1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6863871-B2 Sealing closure for high pressure vessels in microwave assisted chemistry CEM CORPORATION (US) 2005-03-08 US claimed
EP-1181093-B1 SEALING CLOSURE FOR HIGH PRESSURE VESSELS IN MICROWAVE ASSISTED CHEMISTRY CEM CORP (US) 2003-07-16 EP claimed
EP-1181093-A1 SEALING CLOSURE FOR HIGH PRESSURE VESSELS IN MICROWAVE ASSISTED CHEMISTRY CEM Corporation (US) 2002-02-27 EP claimed
US-20010022949-A1 Sealing closure for high pressure vessels in microwave assisted chemistry HARGETT WYATT PRICE (US) 2001-09-20 US claimed
US-6287526-B1 Sealing closure for high pressure vessels in microwave assisted chemistry CEM CORPORATION 2001-09-11 US claimed
WO-2000072957-A1 SEALING CLOSURE FOR HIGH PRESSURE VESSELS IN MICROWAVE ASSISTED CHEMISTRY CEM CORPORATION (US) 2000-12-07 WO claimed