SCHEMBL2018709

SCHEMBL2018709

C=C(CCCC)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.42
PARP1 P09874 1/20 0.42
PTGS2 P35354 1/20 0.40
EPHX1 P07099 3/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 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
SCHEMBL13496379 0.93 ALDH1A1 (0.48) ALDH1A1HPGDMAOAMAOBMAPT
SCHEMBL2015776 0.82 MAOA (0.48) ALDH1A1HPGDMAOAMAOBMAPT
SCHEMBL16954107 0.81 ALDH1A1 (0.51) ALDH1A1HPGDMAPTPARP1EPHX1
SCHEMBL22472284 0.81 HPGD (0.45) ALDH1A1HPGDMAPTPARP1PTGS2
SCHEMBL29263437 0.81 ESR1 (0.44) ALDH1A1PARP1PTGS2KDM4E
SCHEMBL2662195 0.80 PARP1 (0.46) ALDH1A1MAOAMAOBMAPTKMT2A
SCHEMBL633895 0.79 ALDH1A1 (0.57) ALDH1A1HPGDMAPTPARP1EPHX1
SCHEMBL2011999 0.78 MAOA (0.48) ALDH1A1HPGDMAOAMAOBKMT2A
SCHEMBL27509235 0.78 LPL (0.45) HPGDHTT
SCHEMBL20448 0.77 PTGS2 (0.57) ALDH1A1MAOAMAOBPTGS2

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
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
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