SCHEMBL1765980

SCHEMBL1765980

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.40
CYP3A4 P08684 1/20 0.39
MAOB P27338 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL182733 0.87 HDAC3 (0.40) MCL1CYP3A4MAOBHDAC3HDAC4
SCHEMBL9067801 0.87 HDAC3 (0.40) MCL1CYP3A4MAOBHDAC3HDAC4
SCHEMBL9577606 0.87 MCL1 (0.37) MCL1CYP3A4MAOBHDAC3HDAC4
SCHEMBL18171946 0.86 CYP3A4 (0.40) MCL1CYP3A4MAOBHDAC3HDAC4
Itaconate SCHEMBL8677282 0.86 HDAC3 (0.42) MCL1CYP3A4MAOBHDAC3HDAC4
SCHEMBL8335155 0.86 LMNA (0.43) MCL1CYP3A4HDAC3HDAC4HDAC1
Ethylene SCHEMBL28301426 0.86 HDAC3 (0.40) MCL1CYP3A4MAOBHDAC3HDAC4
Methacrylic Acid SCHEMBL437865 0.85 CYP3A4 (0.46) MCL1CYP3A4MAOBHDAC3HDAC4
Methacrylic Acid SCHEMBL6906597 0.85 CYP3A4 (0.46) MCL1CYP3A4MAOBHDAC3HDAC4
Acrylonitrile SCHEMBL8840659 0.85 MCL1 (0.38) MCL1CYP3A4MAOBHDAC3HDAC4

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-5544144-A Optical head structure having compactly arranged parts ASAHI KOGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-08-06 US claimed
EP-2111427-B1 LOW SURFACE GLOSS STYRENE RESIN COMPOSITION, AND LOW SURFACE GLOSS SHEET AND COMPOSITE ARTICLE THEREFROM LG CHEMICAL LTD (KR) 2014-04-30 EP disclosed
WO-2008096976-A9 LOW SURFACE GLOSS STYRENE RESIN COMPOSITION, AND LOW SURFACE GLOSS SHEET AND COMPOSITE ARTICLE THEREFROM LG CHEM, LTD. (KR) 2011-05-26 WO disclosed
EP-1373350-B1 USE OF ANIONIC POLYMERS THAT CARRY URETHANE AND/OR UREA GROUPS FOR MODIFYING SURFACES BASF SE (DE) 2010-12-15 EP disclosed
EP-2111427-A1 LOW SURFACE GLOSS STYRENE RESIN COMPOSITION, AND LOW SURFACE GLOSS SHEET AND COMPOSITE ARTICLE THEREFROM LG Chem, Ltd. (KR) 2009-10-28 EP disclosed
WO-2008096976-A1 LOW SURFACE GLOSS STYRENE RESIN COMPOSITION, AND LOW SURFACE GLOSS SHEET AND COMPOSITE ARTICLE THEREFROM LG CHEM, LTD. (KR) 2008-08-14 WO disclosed