SCHEMBL216040

SCHEMBL216040

C[CH]C=Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.68
TRPA1 O75762 3/20 0.56
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
ALOX5 P09917 1/20 0.56
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
CHAT P28329 2/20 0.46
NFE2L2 Q16236 2/20 0.45
CMA1 P23946 1/20 0.45
RELA Q04206 1/20 0.44
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP19A1 P11511 1/20 0.44
MAOA P21397 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL8464597 1.00 MAOB (0.68) MAOBTRPA1MAPK1ALDH1A1LMNA
SCHEMBL216039 1.00 MAOB (0.68) MAOBTRPA1MAPK1ALDH1A1LMNA
SCHEMBL23458007 0.82 MAOB (1.00) MAOBTRPA1MAPK1ALDH1A1LMNA
Benzene SCHEMBL135524 0.82 MAOB (1.00) MAOBTRPA1MAPK1ALDH1A1LMNA
SCHEMBL39483 0.82 MAOB (1.00) MAOBTRPA1MAPK1ALDH1A1LMNA
SCHEMBL5875512 0.82 MAOB (1.00) MAOBTRPA1MAPK1ALDH1A1LMNA
SCHEMBL6853572 0.82 MAOB (1.00) MAOBTRPA1MAPK1ALDH1A1LMNA
SCHEMBL592744 0.82 MAOB (1.00) MAOBTRPA1MAPK1ALDH1A1LMNA
Benzene SCHEMBL9803304 0.82 MAOB (1.00) MAOBTRPA1MAPK1ALDH1A1LMNA
SCHEMBL718317 0.82 MAOB (1.00) MAOBTRPA1MAPK1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9289747-B2 Nanocomposites and their application as monolith columns WATERS TECHNOLOGIES CORPORATION (US) 2016-03-22 US claimed
US-20140326649-A1 NOVEL NANOCOMPOSITES AND THEIR APPLICATION AS MONOLITH COLUMNS WATERS TECHNOLOGIES CORPORATION (US) 2014-11-06 US claimed
US-8778453-B2 Porous inorganic/organic hybrid particles for chromatographic separations and process for its preparation WATERS TECHNOLOGIES CORPORATION (US) 2014-07-15 US claimed
CN-102796157-A Caudatin derivative and medicinal composition and application thereof KUNMING INST BOTANY CN ACAD 2012-11-28 CN claimed
CN-101481327-B Preparation of acid azide ZHEJIANG NORMAL UNIVERSITY (CN) 2011-11-30 CN claimed
US-7989076-B2 A sol-gel reaction mixture containing an aluminum, silicon, titanium or zirconium alkoxide, one or more of an acrylic ester, acid or anhydride monomer, and a curing agent; improved shrinkage inhibition of cured product PPG INDUSTRIES OHIO, INC. (US) 2011-08-02 US claimed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
CN-101481327-A Preparation of acid azide UNIV ZHEJIANG NORMAL (CN) 2009-07-15 CN claimed
CN-101362724-A Tetramethylpyrazine acidamides derivates, preparation method and medicament composition and application UNIV SHANDONG (CN) 2009-02-11 CN claimed
JP-4216716-B2 2009-01-28 JP claimed
WO-2003014450-A1 POROUS INORGANIC/ORGANIC HYBRID MONOLITH MATERIALS FOR CHROMATOGRAPHIC SEPARATIONS AND PROCESS FOR THEIR PREPARATION WATERS INVESTMENTS LIMITED (US) 2003-02-20 WO claimed
US-20020070168-A1 As packing materials for liquid chromatography; efficiency WATERS TECHNOLOGIES CORPORATION 2002-06-13 US claimed
WO-2002032912-A2 PHOSPHINOAMIDITE CARBOXYLATES AND ANALOGS THEREOF IN THE SYNTHESIS OF OLIGONUCLEOTIDES HAVING REDUCED INTERNUCLEOTIDE CHARGE DELLINGER DOUGLAS J (US) 2002-04-25 WO claimed
US-5786448-A FOR SCREENING, SYNTHESIZING PEPTIDE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-07-28 US claimed
EP-0586418-A1 SUBSTITUTED TRIAZOLINONES BAYER AG (DE) 1994-03-16 EP claimed
US-5276008-A Herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1994-01-04 US claimed
WO-1992020663-A1 SUBSTITUTED TRIAZOLINONES BAYER AKTIENGESELLSCHAFT (DE) 1992-11-26 WO claimed
EP-0502307-A2 Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones BAYER AG (DE) 1992-09-09 EP claimed
US-4672068-A Antihypertensive 1,4-dihydropyridines having a conjugated ester FUJIREBIO KABUSHIKI KAISHA (JP) 1987-06-09 US claimed
CN-85105335-A The preparation process of dihydrogen pyridine derivative 1987-01-14 CN claimed