SCHEMBL367727

SCHEMBL367727

C=C(C)c1cccc(CC(C)N=C=O)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.38
FOLH1 Q04609 3/20 0.35
ANPEP P15144 1/20 0.35
ENPEP Q07075 1/20 0.35
PNMT P11086 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 1/20 0.34
MEP1B Q16820 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 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
SCHEMBL635206 0.83 PNMT (0.43) PNMTNOS3NOS1NOS2
SCHEMBL23121590 0.83 PNMT (0.43) PNMTNOS3NOS1NOS2
SCHEMBL374482 0.79 MIF (0.36) FOLH1MEN1KMT2ANOS3NOS1
SCHEMBL28097746 0.77 PNMT (0.53) SLC7A5ANPEPENPEPPNMT
SCHEMBL9814342 0.77 SLC7A5 (0.41) SLC7A5FOLH1ANPEPENPEPPNMT
Alcohol SCHEMBL28895010 0.75 CYP4F2 (0.37) MEN1KMT2AMEP1BNOS3NOS1
SCHEMBL8680649 0.75 SLC7A5 (0.40) SLC7A5FOLH1ANPEPENPEPPNMT
SCHEMBL5416148 0.75 GBA1 (0.38)
SCHEMBL15896437 0.75 SLC7A5 (0.50) SLC7A5FOLH1ANPEPENPEPPPARA
SCHEMBL21056125 0.74 SLC6A2 (0.48) MEN1KMT2A

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 148 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0595921-A1 PREPARATION OF NONLINEAR OPTICAL ELEMENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-11 EP claimed
US-5266651-A Crosslinked poled polymers for nonlinear optic applications and method of making them E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-11-30 US claimed
WO-1993002384-A1 PREPARATION OF NONLINEAR OPTICAL ELEMENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-04 WO claimed
CN-114478987-B Polyurethane, method for producing polyurethane, conductive paste composition, conductive wiring, and method for producing conductive wiring 信越化学工业株式会社 2024-07-02 CN disclosed
WO-2024103323-A1 ISOCYANATE COMPOSITION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 万华化学集团股份有限公司 2024-05-23 WO disclosed
CN-114829534-B Polyurethane adhesive for structure 三井化学株式会社 2024-05-07 CN disclosed
EP-3825301-B1 XYLYLENEDIISOCYANATE COMPOSITION, XYLYLENEDIISOCYANATE-MODIFIED COMPOSITION, TWO-COMPONENT RESIN MATERIAL, AND RESIN MITSUI CHEMICALS INC (JP) 2024-04-17 EP disclosed
CN-117820601-A Naphthalene diisocyanate composition, preparation method and application thereof 万华化学集团股份有限公司 2024-04-05 CN disclosed
CN-117801222-A Cyclohexane dimethylene diisocyanate composition, modified composition, polyurethane resin and optical resin 万华化学集团股份有限公司 2024-04-02 CN disclosed
CN-117321161-A Heat-resistant adhesive film 富士复写案株式会社 2023-12-29 CN disclosed
CN-114585706-B Polyurethane adhesive for structure 三井化学株式会社 2023-12-19 CN disclosed
WO-2002016461-A1 THERMALLY SETTING SUBSTANCE MIXTURE AND USE THEREOF BASF COATINGS AG (DE) 2002-02-28 WO disclosed
US-5622926-A INHIBITING DYE TRANSFER BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
EP-0677067-B1 COPOLYMERISATES OF VINYL PYRROLIDONE AND VINYL IMIDAZOLE, A PROCESS FOR PRODUCING THEM AND THEIR USE IN DETERGENTS BASF AG (DE) 1997-04-02 EP disclosed
EP-0583417-B1 CROSSLINKED POLED POLYMERS FOR NONLINEAR OPTIC APPLICATIONS AND METHOD OF MAKING THEM DU PONT (US) 1997-01-29 EP disclosed
EP-0595921-A1 PREPARATION OF NONLINEAR OPTICAL ELEMENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-11 EP disclosed
EP-0583417-A1 CROSSLINKED POLED POLYMERS FOR NONLINEAR OPTIC APPLICATIONS AND METHOD OF MAKING THEM. DU PONT (US) 1994-02-23 EP disclosed
US-5266651-A Crosslinked poled polymers for nonlinear optic applications and method of making them E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-11-30 US disclosed
WO-1993002384-A1 PREPARATION OF NONLINEAR OPTICAL ELEMENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-04 WO disclosed
WO-1992019654-A1 CROSSLINKED POLED POLYMERS FOR NONLINEAR OPTIC APPLICATIONS AND METHOD OF MAKING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-12 WO disclosed