SCHEMBL130070

SCHEMBL130070

C=CCNC(C)(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HTT P42858 1/20 0.37
DPP4 P27487 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
Hydrochloric Acid SCHEMBL173850 0.98 ATM (0.42) KCNN4ALDH1A1SMN1; SMN2KDM4EMAPK1
Bromide SCHEMBL1261498 0.98 ALDH1A1 (0.40) KCNN4ALDH1A1SMN1; SMN2KDM4EMAPK1
Acetic Acid SCHEMBL5720116 0.91 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EMAPK1GAA
SCHEMBL9567759 0.90 HTT (0.41) ALDH1A1SMN1; SMN2KDM4EGAATSHR
Succinic Acid SCHEMBL7270162 0.88 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EMAPK1GAA
Succinic Acid SCHEMBL7270158 0.88 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EMAPK1GAA
SCHEMBL7735572 0.86 GAA (0.36) KCNN4ALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL8776711 0.81 ALDH1A1 (0.51) KCNN4ALDH1A1SMN1; SMN2KDM4EMAPK1
Ditiocarb SCHEMBL10336216 0.81 GAA (0.40) ALDH1A1SMN1; SMN2KDM4EMAPK1GAA
SCHEMBL10336217 0.80 GAA (0.39) ALDH1A1SMN1; SMN2KDM4EMAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655287-B Concrete self-healing protective agent and preparation method and application thereof 河北砼固新材料科技有限公司 2023-11-10 CN claimed
CN-116655287-A Concrete self-healing protective agent and preparation method and application thereof 河北砼固新材料科技有限公司 2023-08-29 CN claimed
US-20210277605-A1 Paper substrates and articles containing antimicrobial components as well as methods of making and using the same INTERNATIONAL PAPER COMPANY 2021-09-09 US claimed
EP-3170394-B1 HIGH QUALITY ANTIMICROBIAL PAINT COMPOSITION SWIMC LLC (US) 2021-06-16 EP claimed
EP-3313183-B1 AN AQUEOUS ANTIMICROBIAL FILM-FORMING COMPOSITION FOR TEAT TREATMENT BY SPRAY APPLICATION ECOLAB USA INC (US) 2020-07-08 EP claimed
EP-3167714-B1 HIGH QUALITY ANTIMICROBIAL PAINT COMPOSITION SWIMC LLC (US) 2020-06-24 EP claimed
US-20190211507-A1 Paper substrates and articles containing antimicrobial components as well as methods of making and using the same INTERNATIONAL PAPER COMPANY 2019-07-11 US claimed
US-20180177189-A1 AN AQUEOUS ANTIMICROBIAL FILM-FORMING COMPOSITION FOR TEAT TREATMENT BY SPRAY APPLICATION ECOLAB USA INC. 2018-06-28 US claimed
EP-3313183-A1 AN AQUEOUS ANTIMICROBIAL FILM-FORMING COMPOSITION FOR TEAT TREATMENT BY SPRAY APPLICATION Ecolab USA Inc. (US) 2018-05-02 EP claimed
US-20170350075-A1 PAPER SUBSTRATES AND CONTAINING AN ANTIMICROBIAL COMPONENT AS WELL AS METHOD OF MAKING AND USING THE SAME INTERNATIONAL PAPER COMPANY (US) 2017-12-07 US claimed
US-20060105657-A1 Microbial resistant kraft facing for fiberglass insulation OWENS CORNING INTELLECTUAL CAPITAL, LLC 2006-05-18 US claimed
WO-2006014426-A1 INSULATION PAPER FACING CONTAINING AN ANTIMICOTIC OF FUNGICIDE AND METHODS OF MAKING AND USING THE SAME THILMANY, LLC (US) 2006-02-09 WO claimed
WO-2006014446-A1 PAPER SUBSTRATES CONTAINING AN ANTIMICROBIAL COMPOUND AS WELL AS METHODS OF MAKING AND USING THE SAME INTERNATIONAL PAPER COMPANY (US) 2006-02-09 WO claimed
US-20060008496-A1 Insulation paper facing containing an antimicotic or fungicide and methods of making and using the same THILMANY, LLC, A DELAWARE LLC 2006-01-12 US claimed
US-20060008513-A1 Paper substrates and articles containing antimicrobial components as well as methods of making and using the same INTERNATIONAL PAPER COMPANY 2006-01-12 US claimed
EP-0971751-B1 ABSORBENT ITEM KIMBERLY CLARK GMBH (DE) 2001-11-21 EP claimed
EP-0915945-B1 FORMULATIONS FOR WASHING, CLEANING AND BODY CARE AGENTS COMPRISING ANIONIC GEMINI SURFACTANTS AND THEIR USE RWE DEA AG (DE) 2000-10-11 EP claimed
EP-0844827-B1 TUBERCULOCIDAL SYNERGISTIC DISINFECTANT COMPOSITIONS AND METHODS OF DISINFECTING JOHNSON S C COMM MARKETS INC (US) 1999-06-09 EP claimed
WO-1998036640-A1 DUST MITE CONTROL COMPOSITIONS CONTAINING BENZYL BENZOATE AND ALCOHOL RECKITT & COLMAN INC. (US) 1998-08-27 WO claimed
US-5344482-A Use of thiadiazoles as biocides for material protection WITCO GMBH (DE) 1994-09-06 US claimed