SCHEMBL2016516

SCHEMBL2016516

C=C(CC)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
HPGD P15428 4/20 0.44
ALDH1A1 P00352 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
NPFFR2 Q9Y5X5 1/20 0.42
CYP3A4 P08684 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL20619804 0.84 MAOA (0.44) TSHRMAOAMAOBHPGDALDH1A1
SCHEMBL2017777 0.81 TSHR (0.49) TSHRMAOAMAOBHPGDALDH1A1
SCHEMBL16795752 0.81 TSHR (0.48) TSHRMAOAMAOBHPGDALDH1A1
SCHEMBL17411406 0.79 TSHR (0.47) TSHRMAOAMAOBHPGDNPFFR2
SCHEMBL990763 0.79 TSHR (0.47) TSHRMAOAMAOBHPGDALDH1A1
SCHEMBL21294933 0.79 TSHR (0.47) TSHRMAOAMAOBHPGDNPFFR2
SCHEMBL23792292 0.79 HPGD (0.50) TSHRMAOAMAOBHPGDNPFFR2
SCHEMBL19231916 0.78 HPGD (0.39) TSHRHPGDALDH1A1CYP3A4POLB
SCHEMBL3194118 0.78 HPGD (0.47) TSHRMAOAMAOBHPGDALDH1A1
SCHEMBL23978992 0.77 TSHR (0.30) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2011073164-A1 STAIN-BLOCKING AQUEOUS COATING COMPOSITION AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2011-06-23 WO disclosed
US-7495023-B2 Thio semicarbazone and semicarbozone inhibitors of cysteine proteases and methods of their use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-24 US 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