SCHEMBL8047550

SCHEMBL8047550

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
PTP4A3 O75365 2/20 0.35
PTP4A1 Q93096 2/20 0.35
CYP3A4 P08684 1/20 0.33
PTP4A2 Q12974 1/20 0.33
APP P05067 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
Styrene SCHEMBL1255712 0.85 CYP3A4 (0.40) MAPTPTP4A3PTP4A1CYP3A4PTP4A2
Styrene SCHEMBL327555 0.82 CYP3A4 (0.38) MAPTPTP4A3PTP4A1CYP3A4PTP4A2
Acrylonitrile SCHEMBL2578917 0.81 PTP4A3 (0.33) MAPTCACNA1BAPBA1PTP4A3PTP4A1
SCHEMBL2086750 0.81 MAPT (0.52) MAPTCACNA1BAPBA1PTP4A3PTP4A1
SCHEMBL30941 0.81 MAPT (0.52) MAPTCACNA1BAPBA1PTP4A3PTP4A1
SCHEMBL17746697 0.81 CASP1 (0.41) MAPTPTP4A3PTP4A1CYP3A4APP
SCHEMBL8930745 0.80 MAPT (0.38) MAPTCACNA1BAPBA1CYP3A4APP
SCHEMBL2260103 0.80 ALDH1A1 (0.53) MAPTPTP4A1TSHRALDH1A1MEN1
SCHEMBL7125436 0.79 ALDH1A1 (0.45) MAPTCACNA1BAPBA1PTP4A3PTP4A1
SCHEMBL4871684 0.79 TSHR (0.42) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116057112-A Superabsorbent polymer and method for producing the same 株式会社LG化学 2023-05-02 CN disclosed
CN-115989268-A Superabsorbent polymer and method of making the same 株式会社LG化学 2023-04-18 CN disclosed
CN-114265290-A Textile custom printed with antimicrobial nanoparticles 施乐公司 2022-04-01 CN disclosed
EP-3020751-B1 METHOD FOR PREPARING RESIN POWDER AND INTEGRAL COAGULATING DEVICE THEREFOR LG CHEMICAL LTD (KR) 2021-09-29 EP disclosed
US-6010824-A Photosensitive resin composition containing a triazine compound and a pre-sensitized plate using the same, and photosensitive resin composition containing acridine and triazine compounds and a color filter and a pre-sensitized plate using the same TOKYO OHKA KOGYO CO., LTD. (JP) 2000-01-04 US disclosed