SCHEMBL2016639

SCHEMBL2016639

C=Cc1ccc(C=C)cc1.C=Cc1ccc(CCCCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
TSHR P16473 1/20 0.54
MAOB P27338 2/20 0.54
MAOA P21397 1/20 0.50
HTR2A P28223 1/20 0.48
IGF1R P08069 1/20 0.47
ALOX15 P16050 1/20 0.47
SIGMAR1 Q99720 8/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL152443 1.00 ALDH1A1 (0.54) ALDH1A1TSHRMAOBMAOAHTR2A
SCHEMBL9806380 0.91 ALDH1A1 (0.59) ALDH1A1TSHRMAOBMAOAHTR2A
SCHEMBL1140696 0.91 ALDH1A1 (0.58) ALDH1A1TSHRMAOBMAOAHTR2A
SCHEMBL1140602 0.89 ALDH1A1 (0.55) ALDH1A1TSHRMAOBHTR2ASIGMAR1
SCHEMBL3797757 0.89 ALDH1A1 (0.55) ALDH1A1TSHRMAOBHTR2ASIGMAR1
SCHEMBL6278400 0.89 ALDH1A1 (0.55) ALDH1A1TSHRMAOBHTR2ASIGMAR1
SCHEMBL6285095 0.89 ALDH1A1 (0.55) ALDH1A1TSHRMAOBHTR2ASIGMAR1
SCHEMBL594419 0.89 ALDH1A1 (0.55) ALDH1A1TSHRMAOBHTR2ASIGMAR1
SCHEMBL1140808 0.89 ALDH1A1 (0.55) ALDH1A1TSHRMAOBHTR2ASIGMAR1
Styrene SCHEMBL30363407 0.88 ALDH1A1 (0.47) ALDH1A1TSHRMAOBMAOAHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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