SCHEMBL4596663

SCHEMBL4596663

N#COc1ccccc1Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
LTA4H P09960 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A4 P31645 4/20 0.43
SLC6A2 P23975 3/20 0.43
HTR1A P08908 2/20 0.43
SLC6A3 Q01959 2/20 0.43
POLB P06746 1/20 0.43
HRH1 P35367 1/20 0.41
CTNNB1 P35222 1/20 0.41
RIPK1 Q13546 1/20 0.40
HPGD P15428 1/20 0.40
KDM1A O60341 2/20 0.39
DPP4 P27487 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
SCHEMBL3994528 0.93 ALDH1A1 (0.52) TSHRLTA4HALDH1A1HTTMAPK1
SCHEMBL7724836 0.88 ALDH1A1 (0.47) TSHRALDH1A1HTTMAPK1L3MBTL1
SCHEMBL1324603 0.86 AR (0.38) TSHRALDH1A1HTTMAPK1L3MBTL1
SCHEMBL1742762 0.84 ALDH1A1 (0.52) TSHRLTA4HALDH1A1HTTMAPK1
SCHEMBL11523303 0.84 TSHR (0.40) TSHRLTA4HALDH1A1HTTMAPK1
SCHEMBL30159634 0.83 CA1 (0.38) TSHRALDH1A1GAAPOLB
SCHEMBL159732 0.83 CA1 (0.38) TSHRALDH1A1GAAPOLB
SCHEMBL3994529 0.83 ALDH1A1 (0.50) TSHRLTA4HALDH1A1HTTMAPK1
SCHEMBL8013895 0.81 ALDH1A1 (0.41) TSHRLTA4HALDH1A1HTTMAPK1
SCHEMBL51822 0.81 LTA4H (0.69) TSHRLTA4HALDH1A1HTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874843-A1 AQUEOUS ALKYD RESIN EMULSION FOR FIXING WATER-SOLUBLE DYES Ashland-Südchemie-Kernfest GmbH (DE) 2008-01-09 EP disclosed
WO-2006114281-A1 AQUEOUS ALKYD RESIN EMULSION FOR FIXING WATER-SOLUBLE DYES Ashland-Südchemie-Kernfest GmbH (DE) 2006-11-02 WO disclosed
EP-1377622-A2 POLYESTER RESIN EMULSION AND TWO-COMPONENT AQUEOUS PAINT Ashland-Südchemie-Kernfest GmbH (DE) 2004-01-07 EP disclosed
WO-2002079296-A2 POLYESTER RESIN EMULSION AND TWO-COMPONENT AQUEOUS PAINT Ashland-Südchemie-Kernfest GmbH (DE) 2002-10-10 WO disclosed
EP-0013923-B1 SUSPENSIONS OF ISOCYANATOUREA IN ISOCYANATE PREPOLYMERS, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF HIGH-MOLECULAR POLYURETHANE PLASTICS BAYER AG (DE) 1982-07-28 EP disclosed
EP-0048117-A2 In-mold coating compositions containing a non-isocyanate-reactive unsaturated resin, a non-isocyanate-reactive monomer and a free isocyanate-containing compound ICI AMERICAS INC. (US) 1982-03-24 EP disclosed