SCHEMBL14036387

SCHEMBL14036387

C=CC(=O)OCCOc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OCCOC(=O)C=C)cc3OCCOC(=O)C=C)n2)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
MAPT P10636 9/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 5/20 0.38
HTT P42858 5/20 0.38
PPARD Q03181 1/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPK1 P28482 3/20 0.38
GPR55 Q9Y2T6 2/20 0.37
BLM P54132 1/20 0.37
LMNA P02545 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL14036426 0.97 THRB (0.39) THRBMAPTL3MBTL1POLBALDH1A1
SCHEMBL4980805 0.92 THRB (0.43) THRBMAPTL3MBTL1ALDH1A1HTT
SCHEMBL16191374 0.90 THRB (0.44) THRBMAPTL3MBTL1POLBALDH1A1
SCHEMBL29664981 0.87 THRB (0.45) THRBMAPTL3MBTL1POLBALDH1A1
SCHEMBL225454 0.87 THRB (0.45) THRBMAPTL3MBTL1POLBALDH1A1
SCHEMBL16191439 0.86 THRB (0.44) THRBMAPTL3MBTL1POLBALDH1A1
SCHEMBL28047260 0.86 THRB (0.47) THRBMAPTL3MBTL1POLBALDH1A1
SCHEMBL2240376 0.85 THRB (0.49) THRBMAPTL3MBTL1POLBALDH1A1
SCHEMBL29512611 0.85 THRB (0.49) THRBMAPTL3MBTL1POLBALDH1A1
SCHEMBL8517765 0.85 THRB (0.45) THRBMAPTPOLBGPR55LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451248-B1 2-HYDROXYPHENYL-S-TRIAZINE CROSSLINKERS FOR POLYMER NETWORKS CIBA HOLDING INC (CH) 2008-11-26 EP disclosed
US-7214742-B2 2-hydroxyphenyl-s-triazine crosslinkers for polymer networks CIBA SPECIALTY CHEMICALS CORP. (US) 2007-05-08 US disclosed
US-7214742-B2 2-hydroxyphenyl-s-triazine crosslinkers for polymer networks CIBA SPECIALTY CHEMICALS CORP. (US) 2007-05-08 US disclosed