SCHEMBL2016638

SCHEMBL2016638

C=Cc1ccc(C=C)c(C=Cc2ccc(CCCCc3ccccc3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
IGF1R P08069 1/20 0.38
ALOX15 P16050 1/20 0.38
MAOA P21397 1/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
HTR2A P28223 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35

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
SCHEMBL78055 0.84 ALDH1A1 (0.48) MAOBMAOA
SCHEMBL2016639 0.79 ALDH1A1 (0.54) MAOBIGF1RALOX15MAOAHTR2A
SCHEMBL152443 0.79 ALDH1A1 (0.54) MAOBIGF1RALOX15MAOAHTR2A
SCHEMBL11099741 0.72 ALDH1A1 (0.42) MAOBMAOA
SCHEMBL8620055 0.71 L3MBTL1 (0.36) MAOBIGF1RALOX15HDAC1HDAC2
SCHEMBL4259206 0.71 TP53 (0.41) MAOBIGF1RALOX15SIGMAR1
SCHEMBL9806380 0.71 ALDH1A1 (0.59) MAOBALOX15MAOAHTR2A
SCHEMBL1140696 0.71 ALDH1A1 (0.58) MAOBIGF1RALOX15MAOAHDAC8
SCHEMBL23842889 0.69 MAOB (0.52) MAOBALOX15MAOAGRIN1GRIN2B
SCHEMBL594419 0.69 ALDH1A1 (0.55) MAOBHTR2ASIGMAR1LMNA

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