SCHEMBL9547843

SCHEMBL9547843

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.42
MCL1 Q07820 2/20 0.41
CYP3A4 P08684 1/20 0.40
LMNA P02545 5/20 0.40
MAPT P10636 5/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
APP P05067 1/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
ALDH1A1 P00352 6/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL4559229 0.91 CASP1 (0.44) CASP1CYP3A4LMNAMAPTKDM4E
Styrene SCHEMBL327788 0.87 CYP3A4 (0.38) CASP1CYP3A4LMNAMAPTKDM4E
SCHEMBL11004796 0.85 CYP3A4 (0.44) CASP1CYP3A4LMNAMAPTKDM4E
SCHEMBL891995 0.81 KDM4E (0.55) MCL1CYP3A4LMNAMAPTKDM4E
SCHEMBL1726460 0.81 MAPT (0.36) CYP3A4MAPTAPP
SCHEMBL8847311 0.81 MAPT (0.41) CASP1MCL1CYP3A4LMNAMAPT
SCHEMBL9716477 0.80 HDAC3 (0.46) CASP1CYP3A4LMNAMAPTKDM4E
SCHEMBL2021400 0.79 MCL1 (0.51) MCL1LMNAMAPTKDM4EKMT2A
SCHEMBL11872611 0.79 MAPT (0.44) CASP1MCL1CYP3A4LMNAMAPT
SCHEMBL17746697 0.78 CASP1 (0.41) CASP1CYP3A4LMNAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215321-B1 PARTICULATE POLYMER AND PREPARATION PROCESS THEREOF MITSUBISHI RAYON CO., LTD. (JP) 1993-02-17 EP disclosed
US-4977241-A AGGLOMERATION OF PARTICLES CONTAINED IN LATEX MITSUBISHI RAYON COMPANY, LTD. (JP) 1990-12-11 US disclosed
US-4874841-A COAGULATING A LATEX USING A COAGULANT AND ORGANIC LIQUID HAVING LOW WATER SOLUBILITY MITSUBISHI RAYON CO., LTD. (JP) 1989-10-17 US disclosed
EP-0057408-B1 PROCESS FOR PRODUCING GRAFT COPOLYMER KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-04-29 EP disclosed
EP-0215321-A2 Particulate polymer and preparation process thereof MITSUBISHI RAYON CO., LTD. (JP) 1987-03-25 EP disclosed
US-4401806-A AFTER COAGULATION, IMPREGNATION WITH ORGANIC LIQUID, DISPERSION IN WATER, RECOVERING POWDER KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1983-08-30 US disclosed
US-4345043-A BLENDED WITH MODIFIED TITANIUM OXIDE PREPARED BY POLYMERIZING MIXTURE OF VINYL CHLORIDE AND 10-UNDECENOIC ACID KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-08-17 US disclosed
EP-0057408-A2 Process for producing graft copolymer KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-08-11 EP disclosed
US-4275178-A IMPACT STRENGTH ADDITION POLYMER BLENDS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1981-06-23 US disclosed