SCHEMBL531179

SCHEMBL531179

C=CC1(CCCC)NC1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PKM P14618 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
TYMP P19971 1/20 0.33
MMP13 P45452 1/20 0.33
CYP19A1 P11511 4/20 0.32
CPT1A P50416 1/20 0.32
MMP9 P14780 2/20 0.32
TSHR P16473 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31

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
SCHEMBL1742974 0.92 CPT1A (0.40) MEN1KMT2ATYMPMMP13CYP19A1
SCHEMBL532319 0.81 MMP9 (0.36) KDM4EPKMALDH1A1MEN1MAPT
SCHEMBL531339 0.73 TSHR (0.40) KDM4EPKMALDH1A1MEN1MAPT
SCHEMBL901435 0.69
SCHEMBL16053224 0.68 MMP9 (0.46) KDM4EALDH1A1MMP13CPT1AMMP9
SCHEMBL4091048 0.67
SCHEMBL3504596 0.66 MMP9 (0.49) ALDH1A1MEN1KMT2AMMP13CPT1A
Hydrochloric Acid SCHEMBL5513477 0.65 CYP19A1 (0.37) HSD17B10KDM4EPKMMMP13CYP19A1
SCHEMBL10582778 0.64 CPT1A (0.43) HSD17B10KDM4EPKMALDH1A1MEN1
SCHEMBL9895106 0.64 CYP19A1 (0.36) HSD17B10KDM4EPKMMMP13CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110511440-A The polymer composition coated with silica of coprocessing HERCULES INCOPORATED 2019-11-29 CN claimed
CN-109689714-A Silicone hydrogels comprising N-alkylmethacrylamides and contact lenses made therefrom 庄臣及庄臣视力保护公司 2019-04-26 CN claimed
CN-105073798-B The method for preparing surfactant response emulsion polymer 路博润先进材料公司 2018-09-25 CN claimed
CN-107936204-A Polymer and nano-gel material and its preparation and application 庄臣及庄臣视力保护公司 2018-04-20 CN claimed
EP-3288533-A1 USE OF A COMPOSITION FOR BLEACHING TEETH BASF SE (DE) 2018-03-07 EP claimed
CN-107567327-A Polymers for stabilizing peroxide compounds 巴斯夫欧洲公司 2018-01-09 CN claimed
CN-107531850-A Use of a composition for bleaching teeth 巴斯夫欧洲公司 2018-01-02 CN claimed
CN-104105714-B Prepare the method and thus obtained product of acrylate copolymer 路博润高级材料公司 2017-04-05 CN claimed
CN-103502317-B Macroinitiators containing hydrophobic segments 庄臣及庄臣视力保护公司 2017-02-08 CN claimed
WO-2016173871-A1 USE OF A COMPOSITION FOR BLEACHING TEETH BASF SE (DE) 2016-11-03 WO claimed
EP-2794672-A1 METHOD OF PREPARING ACRYLIC POLYMERS AND PRODUCTS PRODUCED THEREBY Lubrizol Advanced Materials, Inc. (US) 2014-10-29 EP claimed
WO-2013096206-A1 METHOD OF PREPARING ACRYLIC POLYMERS AND PRODUCTS PRODUCED THEREBY LUBRIZOL ADVANCED MATERIALS, INC. (US) 2013-06-27 WO claimed
EP-2365831-A2 HYDROGELS WITH RELEASE ELEMENT 3M Innovative Properties Company (US) 2011-09-21 EP claimed
EP-2240143-A2 HYDROGELS WITH TAPERED EDGE 3M Innovative Properties Company (US) 2010-10-20 EP claimed
WO-2010036682-A2 HYDROGELS WITH RELEASE ELEMENT 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-04-01 WO claimed
WO-2009091682-A2 HYDROGELS WITH TAPERED EDGE 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-07-23 WO claimed
WO-2023172508-A1 CO-PROCESSED EXCIPIENT COMPOSITION ISP INVESTMENTS LLC (US) 2023-09-14 WO disclosed
EP-4168500-A1 CAUSTIC WASHABLE COMPOSITIONS FOR PRINTING Inx International Ink Co. (US) 2023-04-26 EP disclosed
WO-1999034244-A1 PROGRAMMABLE CORRECTIVE LENS NOVARTIS AG (CH) 1999-07-08 WO disclosed
EP-0079721-A2 N-vinyl lactam-based biomedical devices and process for preparation thereof BAUSCH & LOMB INCORPORATED (US) 1983-05-25 EP disclosed