SCHEMBL2017777

SCHEMBL2017777

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
CCKBR P32239 2/20 0.39
HTT P42858 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 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
SCHEMBL20619804 0.89 MAOA (0.44) TSHRMAOAMAOBHPGDALDH1A1
SCHEMBL19000279 0.81 HTT (0.37) TSHRMAOAMAOBALDH1A1HTT
SCHEMBL2016516 0.81 TSHR (0.47) TSHRMAOAMAOBHPGDALDH1A1
SCHEMBL2011999 0.79 MAOA (0.48) MAOAMAOBHPGDALDH1A1HTT
SCHEMBL3194118 0.79 HPGD (0.47) TSHRMAOAMAOBHPGDALDH1A1
SCHEMBL16450946 0.79 TSHR (0.49) TSHRHPGDALDH1A1DUSP3PTPN5
SCHEMBL634330 0.79 HSD17B3 (0.58) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL24403927 0.77 TSHR (0.48) TSHRMAOAMAOBHPGDHTT
SCHEMBL2018709 0.77 ALDH1A1 (0.50) MAOAMAOBHPGDALDH1A1HTT
SCHEMBL28930606 0.75 HSD17B3 (0.37) ALDH1A1HDAC1HDAC8

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 9 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
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