SCHEMBL3962443

SCHEMBL3962443

CCOC(=O)C=CN=C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.50
MAPT P10636 5/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TTR P02766 1/20 0.37
DPP4 P27487 1/20 0.37
ATM Q13315 1/20 0.36
LMNA P02545 2/20 0.35
MDM2 Q00987 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34
MAOB P27338 1/20 0.33

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
SCHEMBL9122990 1.00 HCAR2 (0.50) HCAR2MAPTCA12CA1CA2
SCHEMBL3085589 0.85 HCAR2 (0.53) HCAR2MAPTNPSR1ALDH1A1ATM
SCHEMBL9122826 0.84 TSHR (0.44) HCAR2MAPTNPSR1ALDH1A1ATM
SCHEMBL9122809 0.84 TSHR (0.44) HCAR2MAPTNPSR1ALDH1A1ATM
SCHEMBL9123902 0.79 HCAR2 (0.58) HCAR2MAPTNPSR1ATMTSHR
SCHEMBL9123894 0.79 HCAR2 (0.58) HCAR2MAPTNPSR1ATMTSHR
SCHEMBL2669280 0.77
SCHEMBL9120499 0.77
SCHEMBL9123241 0.77
SCHEMBL10860213 0.77

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-5401819-A Trans-beta-isocyanatoacrylate esters, their preparation, and polymers made therefrom CURATORS OF THE UNIVERSITY OF MISSOURI (US) 1995-03-28 US claimed
WO-2023169485-A1 COPOLYMER, TREATMENT AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF 北京马普新材料有限公司 2023-09-14 WO disclosed
EP-1302514-B1 Active energy ray-curable antistatic coating composition MITSUBISHI CHEM CORP (JP) 2009-07-15 EP disclosed
EP-1302514-A2 Active energy ray-curable antistatic coating composition MITSUBISHI CHEMICAL CORPORATION (JP) 2003-04-16 EP disclosed
US-5401819-A Trans-beta-isocyanatoacrylate esters, their preparation, and polymers made therefrom CURATORS OF THE UNIVERSITY OF MISSOURI (US) 1995-03-28 US disclosed
US-5347044-A Trans-beta-isocyanatoacrylate esters, their preparation, and polymers made therefrom CURATORS OF THE UNIVERSITY OF MISSOURI (US) 1994-09-13 US disclosed