SCHEMBL2015853

SCHEMBL2015853

C=C(CC)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.55
MAOB P27338 3/20 0.55
HTT P42858 1/20 0.46
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
PTGS1 P23219 1/20 0.42
GSK3B P49841 2/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
CA1 P00915 1/20 0.39

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
SCHEMBL2263489 0.87 NR1I2 (0.42) MAOAMAOBPTGS1TSHRALOX15
SCHEMBL10415925 0.82 MAOA (0.52) MAOAMAOBHTTCES2CES1
SCHEMBL2011999 0.79 MAOA (0.48) MAOAMAOBHTTL3MBTL1MEN1
SCHEMBL8410387 0.78 SLC6A4 (0.36) MAOAMAOBPTGS1TSHRALOX15
SCHEMBL5704306 0.78 ALDH1A1 (0.44) HTTCES2CES1GSK3BATM
SCHEMBL10673423 0.78 MAOA (0.57) MAOAMAOBCES2CES1GSK3B
SCHEMBL5749794 0.78 ESR1 (0.58) HTTPTGS1TSHRALOX15CYP3A4
SCHEMBL18871877 0.77 MAOA (0.42) MAOAMAOBHTTCES2CES1
SCHEMBL5178198 0.76 MAOA (0.47) MAOAMAOBHTTCES2CES1
SCHEMBL991358 0.76 GSK3B (0.56) MAOAMAOBCES2CES1GSK3B

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 17 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
WO-2019178510-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-09-19 WO disclosed
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-5877253-A TERPOLYMERS OF AN AROMATIC MONOMER HAVING AN UNSUBSTITUTED ETHYLENIC GROUP, AN AROMATIC MONOMER HAVING AN ALKYL-SUBSTITUTED ETHYLENIC GROUP, AND AN ACID MONOMER, NEUTRALIZED WITH AMMONIA OR AN AMINE. HENKEL CORPORATION (US) 1999-03-02 US disclosed
WO-1997014746-A1 FILM-FORMING COMPOSITIONS HENKEL CORPORATION (US) 1997-04-24 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