SCHEMBL2011999

SCHEMBL2011999

C=C(CCCC)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
ALDH1A1 P00352 3/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
HSD17B3 P37058 1/20 0.40
HTR7 P34969 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
GAA P10253 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10415925 0.88 MAOA (0.52) MAOAMAOBALDH1A1HDAC3HDAC1
SCHEMBL7193415 0.82 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2LMNAHSD17B3
SCHEMBL7187984 0.82 HSD17B3 (0.60) ALDH1A1KDM4ESMN1; SMN2LMNAHSD17B3
SCHEMBL809720 0.82 MAOA (0.50) MAOAMAOBALDH1A1KDM4ELMNA
SCHEMBL10595232 0.82 MAOA (0.50) MAOAMAOBALDH1A1HPGDKDM4E
SCHEMBL809973 0.80 MAOA (0.48) MAOAMAOBALDH1A1KDM4ELMNA
SCHEMBL2015788 0.80 HTR7 (0.61) MAOAMAOBHDAC3HDAC1HDAC2
SCHEMBL10414514 0.80 HDAC3 (0.45) MAOAMAOBALDH1A1HDAC3HDAC1
SCHEMBL11696345 0.80 LMNA (0.47) MAOAALDH1A1LMNAHSD17B3HTR7
SCHEMBL10413952 0.80 ALDH1A1 (0.45) ALDH1A1HDAC3HDAC1HDAC2SMN1; SMN2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4956123-A REACTING A STYRENE TYPE COMPOUND WITH A DIHALOACYL PEROXIDE TO MAKE A FLUOROALKYLAROMATIC ESTER NIPPON OILS & FATS COMPANY, LTD. (JP) 1990-09-11 US claimed
CN-102652159-B Stain-resistant aqueous coating composition AKZO NOBEL COATINGS INT BV 2014-08-13 CN disclosed
EP-2513237-B1 STAIN-BLOCKING AQUEOUS COATING COMPOSITION AKZO NOBEL COATINGS INT BV (NL) 2014-06-18 EP disclosed
US-8709609-B2 Stain-blocking aqueous coating composition AKZO NOVEL COATINGS INTERNATIONAL B.V. (NL) 2014-04-29 US disclosed
EP-2513237-A1 STAIN-BLOCKING AQUEOUS COATING COMPOSITION Akzo Nobel Coatings International B.V. (NL) 2012-10-24 EP disclosed
US-20120244368-A1 STAIN-BLOCKING AQUEOUS COATING COMPOSITION AKZO NOBEL COATING INTERNATIONAL B.V. (NL) 2012-09-27 US disclosed
CN-102652159-A Stain-resistant aqueous coating composition AKZO NOBEL COATINGS INT BV 2012-08-29 CN disclosed
WO-2011073164-A1 STAIN-BLOCKING AQUEOUS COATING COMPOSITION AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2011-06-23 WO disclosed
US-4956123-A REACTING A STYRENE TYPE COMPOUND WITH A DIHALOACYL PEROXIDE TO MAKE A FLUOROALKYLAROMATIC ESTER NIPPON OILS & FATS COMPANY, LTD. (JP) 1990-09-11 US disclosed
EP-0189275-B1 METHOD FOR MANUFACTURE OF FLUORINE-CONTAINING AROMATIC DERIVATIVES NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-10-18 EP disclosed
EP-0197274-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED STYRENES BAYER AG (DE) 1989-01-04 EP disclosed
US-4650910-A CLEAVAGE OF N-ACYL-B-PHENETHYLAMINES WITH BASE BAYER AKTIENGESELLSCHAFT (DE) 1987-03-17 US disclosed
EP-0197274-A1 Process for the preparation of substituted styrenes BAYER AG (DE) 1986-10-15 EP disclosed
EP-0189275-A2 Method for manufacture of fluorine-containing aromatic derivatives NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1986-07-30 EP disclosed