SCHEMBL627746

SCHEMBL627746

C=CCc1cccc(C=C)c1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
AKR1B1 P15121 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 4/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX12 P18054 1/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL10041817 0.86 GABRA1 (0.44) GABRA1GABRB2KMT2AMEN1AKR1B1
SCHEMBL22355711 0.85 GABRA1 (0.54) GABRA1GABRB2KMT2AMEN1AKR1B1
SCHEMBL6284370 0.83 ALDH1A1 (0.37) GABRA1GABRB2KMT2AMEN1ALDH1A1
SCHEMBL110775 0.82 GABRA1 (0.41) GABRA1GABRB2KMT2AMEN1ALDH1A1
SCHEMBL809914 0.80 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1
SCHEMBL16950434 0.80 PDCD1 (0.48) GABRA1GABRB2KMT2AMEN1ALDH1A1
SCHEMBL22745037 0.80 PNMT (0.38) KMT2AMEN1ALDH1A1
SCHEMBL1733365 0.79 GABRA1 (0.48) GABRA1GABRB2KMT2AMEN1AKR1B1
SCHEMBL170383 0.79 GABRA1 (0.48) GABRA1GABRB2KMT2AMEN1AKR1B1
SCHEMBL30679 0.79 GABRA1 (0.47) GABRA1GABRB2KMT2AMEN1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684854-A Synthesis method and application of aqueous polyurethane/acrylic ester composition 万华化学集团股份有限公司 2024-09-24 CN claimed
CN-118085222-B Intrinsic polyurethane acrylate antistatic oligomer, coating, preparation method and application thereof 杉金光电(广州)有限公司 2024-07-05 CN claimed
CN-118085222-A Intrinsic polyurethane acrylate antistatic oligomer, coating, preparation method and application thereof 杉金光电(广州)有限公司 2024-05-28 CN claimed
CN-114181353-A Synthesis and application of modified waterborne polyurethane composition 万华化学集团股份有限公司 2022-03-15 CN claimed
US-20120040581-A1 TEMPLATE-SUPPORTED METHOD OF FORMING PATTERNS OF NANOFIBERS IN THE ELECTROSPINNING PROCESS AND USES OF SAID NANOFIBERS CENTRO DE ESTUDIOS INVESTIGACIONES TECNICAS DE GIPUZKOA (ES) 2012-02-16 US claimed
CN-118684854-A Synthesis method and application of aqueous polyurethane/acrylic ester composition 万华化学集团股份有限公司 2024-09-24 CN disclosed
CN-118085222-B Intrinsic polyurethane acrylate antistatic oligomer, coating, preparation method and application thereof 杉金光电(广州)有限公司 2024-07-05 CN disclosed
CN-118085222-A Intrinsic polyurethane acrylate antistatic oligomer, coating, preparation method and application thereof 杉金光电(广州)有限公司 2024-05-28 CN disclosed
CN-114181353-B Synthesis and application of modified waterborne polyurethane composition 万华化学集团股份有限公司 2023-12-19 CN disclosed
CN-114181353-A Synthesis and application of modified waterborne polyurethane composition 万华化学集团股份有限公司 2022-03-15 CN disclosed
CN-106928392-A Ethyl acetate grafted isobutylene, isoprene and alkylstyrene polymer and preparation method thereof 中国石油天然气股份有限公司 2017-07-07 CN disclosed
US-20120040581-A1 TEMPLATE-SUPPORTED METHOD OF FORMING PATTERNS OF NANOFIBERS IN THE ELECTROSPINNING PROCESS AND USES OF SAID NANOFIBERS CENTRO DE ESTUDIOS INVESTIGACIONES TECNICAS DE GIPUZKOA (ES) 2012-02-16 US disclosed