SCHEMBL424460

SCHEMBL424460

Cc1cc(C)cc(N[C]=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.42
THRB P10828 2/20 0.40
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 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
SCHEMBL7352506 0.81 MEN1 (0.32) RAPGEF4MEN1KMT2AGAAL3MBTL1
SCHEMBL18496071 0.76 THRB (0.48) RAPGEF4THRBNPSR1MEN1KMT2A
SCHEMBL1172183 0.75 CYP1A2 (0.54) NPSR1MEN1KMT2AHTTMAPT
Carbon Dioxide SCHEMBL28275984 0.75 ALDH1A1 (0.50) RAPGEF4THRBALDH1A1TSHRCYP3A4
SCHEMBL28135369 0.75 ALDH1A1 (0.50) RAPGEF4THRBALDH1A1TSHRCYP3A4
SCHEMBL2093538 0.74 RAPGEF4 (0.52) RAPGEF4ALDH1A1LMNA
SCHEMBL1157581 0.74 ATM (0.41) MAPTALDH1A1KDM4E
SCHEMBL428216 0.72 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL14471513 0.70 GABRA1 (0.41) RAPGEF4MAPTGAATSHRHDAC3
SCHEMBL6560132 0.70 ALDH1A1 (0.50) MEN1KMT2AHTTMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102633892-B Polysaccharide derivates and the agent for separating optical isomers containing this polysaccharide derivates DAICEL CHEMICAL INDUSTRIES CO., LTD. (JP) 2016-02-24 CN claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-0238044-B1 ALKYL-SUBSTITUTED PHENYLCARBAMATE DERIVATIVE OF POLYSACCARIDE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-03 EP claimed
US-4912205-A Hydroxy group of polysaccharide substituted by phenylcarbamoyl group DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1990-03-27 US claimed
US-4861872-A Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-29 US claimed
EP-0281951-A1 Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-14 EP claimed
EP-0238044-A2 Alkyl-substituted phenylcarbamate derivative of polysaccaride DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1987-09-23 EP claimed
CN-117753323-A Equipment for preparing etoricoxil based on zero-pollution extraction 常州大学 2024-03-26 CN disclosed
EP-3169430-B1 NEW ULTRAHIGH EFFICIENCY, SUPERFICIALLY POROUS PARTICLE (SPP) CHIRAL PHASES FOR LIQUID CHROMATOGRAPHY AZYP LLC (US) 2021-11-10 EP disclosed
US-10272364-B2 Superficially porous particle (SPP) chiral phases for liquid chromatography AZYP, LLC (US) 2019-04-30 US disclosed
US-20170197156-A1 NEW ULTRAHIGH EFFICIENCY, SUPERFICIALLY POROUS PARTICLE (SPP) CHIRAL PHASES FOR LIQUID CHROMATOGRAPHY AZYP, LLC (US) 2017-07-13 US disclosed
EP-2592095-B1 POLYSACCHARIDE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND SEPARATING AGENT DAICEL CORP (JP) 2017-05-24 EP disclosed
EP-0671975-A1 CHIRAL ADSORBENTS AND PREPARATION THEREOF AS WELL AS COMPOUNDS ON WHICH THE ADSORBENTS ARE BASED AND PREPARATION OF THESE COMPOUNDS Eka Chemicals AB (SE) 1995-09-20 EP disclosed
WO-1994012275-A1 CHIRAL ADSORBENTS AND PREPARATION THEREOF AS WELL AS COMPOUNDS ON WHICH THE ADSORBENTS ARE BASED AND PREPARATION OF THESE COMPOUNDS EKA NOBEL AB (SE) 1994-06-09 WO disclosed
EP-0552824-A2 Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0238044-B1 ALKYL-SUBSTITUTED PHENYLCARBAMATE DERIVATIVE OF POLYSACCARIDE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-03 EP disclosed
US-4861872-A Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-29 US disclosed
EP-0281951-A1 Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-14 EP disclosed