SCHEMBL1678152

SCHEMBL1678152

C=CCC(CC=C)C(N)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.52
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
F2 P00734 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR2A P28223 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH1 P35367 1/20 0.35

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
Iodide SCHEMBL3466445 0.98 DPP4 (0.50) DPP4CYP2C19SMN1; SMN2F2ALDH1A1
Bromide SCHEMBL3466618 0.98 DPP4 (0.50) DPP4CYP2C19SMN1; SMN2F2ALDH1A1
Hydrochloric Acid SCHEMBL327082 0.98 DPP4 (0.50) DPP4CYP2C19SMN1; SMN2F2ALDH1A1
Sulfuric Acid SCHEMBL28531626 0.89 CYP2C19 (0.49) DPP4CYP2C19SMN1; SMN2F2ALDH1A1
SCHEMBL3466950 0.83 CYP2C19 (0.43) DPP4CYP2C19SMN1; SMN2ALDH1A1KDM4E
SCHEMBL14890157 0.80 CYP2C19 (0.40) DPP4CYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL5624213 0.79 HTR2A (0.41) DPP4CYP2C19SMN1; SMN2ALDH1A1KDM4E
SCHEMBL7406881 0.78 CYP2C19 (0.57) DPP4CYP2C19SMN1; SMN2F2ALDH1A1
SCHEMBL898390 0.78 CYP2C19 (0.57) DPP4CYP2C19SMN1; SMN2F2ALDH1A1
SCHEMBL4629946 0.78 CYP2C19 (0.57) DPP4CYP2C19SMN1; SMN2F2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317262-B1 TOPICALLY APPLIED HOOF TREATMENT COMPOSITION CONCENTRATE WEST AGRO INC (US) 2011-10-05 EP claimed
EP-1404174-B1 ANTI-INFECTIVE COMPOSITIONS FOR TREATING DISORDERED TISSUE SUCH AS COLD SORES QUADEX PHARMACEUTICALS LLC (US) 2010-12-15 EP claimed
EP-1434913-B1 HIGHLY REPELLENT CARPET PROTECTANTS DU PONT (US) 2006-01-25 EP claimed
EP-0367744-B1 Supporting device for cleaning animals with fur, product and procedure for cleaning animals with fur ITEMA SA (LU) 1995-06-14 EP claimed
EP-0312992-B1 HAIRDRESSING COMPOSITION Kao Corporation (JP) 1992-05-13 EP claimed
US-4910013-A Branched alkyl quaternary ammonium salt KAO CORPORATION (JP) 1990-03-20 US claimed
EP-0312992-A2 Hairdressing composition Kao Corporation (JP) 1989-04-26 EP claimed
EP-0133071-B1 MODIFIED ORGANOPHILIC CLAY CECA S.A. (FR) 1988-03-30 EP claimed
EP-3515589-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-02-14 EP disclosed
EP-3440309-B1 NANOTUBE MEDIATION OF DEGRADATIVE CHEMICALS FOR OIL-FIELD APPLICATIONS MOLECULAR REBAR DESIGN LLC (US) 2023-07-12 EP disclosed
CN-110678073-B Composition for disinfecting a surface comprising tuberculosis-causing bacteria 斯蒂潘公司 2022-05-17 CN disclosed
US-10913888-B2 Nanotube mediation of degradative chemicals for oil-field application MOLECULAR REBAR DESIGN, LLC (US) 2021-02-09 US disclosed
CN-108780163-B Laminate, method for producing laminate, and method for producing antireflection film 富士胶片株式会社 2020-01-24 CN disclosed
EP-3515589-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2019-07-31 EP disclosed
EP-0314141-A2 Detergent composition Kao Corporation (JP) 1989-05-03 EP disclosed
EP-0312992-A2 Hairdressing composition Kao Corporation (JP) 1989-04-26 EP disclosed
US-4711776-A BRANCHED QUARTERNARY AMMONIUM SALT AND OIL OR FAT KAO CORPORATION (JP) 1987-12-08 US disclosed
EP-0242792-A2 Hair cosmetic composition Kao Corporation (JP) 1987-10-28 EP disclosed
EP-0181547-A2 Hair cosmetic composition Kao Corporation (JP) 1986-05-21 EP disclosed
US-4331447-A ADDING AN OIL FRACTION AS A BINDER TO AN AQUEOUS SLURRY SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1982-05-25 US disclosed