SCHEMBL7033730

SCHEMBL7033730

C=CC(=O)OCCCc1cc(Cc2cc(C(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
AKR1B10 O60218 6/20 0.33
AKR1B1 P15121 6/20 0.33
THRB P10828 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MET P08581 1/20 0.30

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
SCHEMBL7031951 0.94 NPC1 (0.32) ALOX5AKR1B10AKR1B1NPC1RAB9A
SCHEMBL7032209 0.88 NPC1 (0.42) ALOX5AKR1B10AKR1B1THRBNPC1
SCHEMBL7029552 0.88 NPC1 (0.31) NPC1RAB9APOLB
SCHEMBL4187360 0.87 THRB (0.38) ALOX5AKR1B10AKR1B1THRBNPC1
SCHEMBL7736256 0.86 THRB (0.40) ALOX5AKR1B10AKR1B1THRBNPC1
SCHEMBL7024606 0.83 NPC1 (0.43) ALOX5AKR1B10AKR1B1THRBNPC1
SCHEMBL7737134 0.82 ALOX5 (0.41) ALOX5AKR1B10AKR1B1NPC1RAB9A
SCHEMBL7026741 0.82 NPC1 (0.32) NPC1RAB9APOLB
SCHEMBL7026729 0.82 NPC1 (0.32) NPC1RAB9A
SCHEMBL7027917 0.82 THRB (0.36) ALOX5AKR1B10AKR1B1THRBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0924203-B1 2,2'-BIS(6-BENZOTRIAZOLYLPHENOL) COMPOUNDS, ULTRAVIOLET ABSORBERS COMPRISING THE SAME, COPOLYMERS CONTAINING THE SAME, AND POLYMER COMPOSITIONS CONTAINING THE SAME OTSUKA CHEMICAL CO LTD (JP) 2003-02-05 EP disclosed
US-6281313-B1 2,2′BIS(6-Benzotriazolylphenol) compound, ultraviolet ray absorber comprising the compound, copolymer containing the compound and polymer composition containing the compound OTSUKA CHEMICAL CO., LTD. (JP) 2001-08-28 US disclosed
US-6084104-A FREE FROM VOLATILITY AND ELUTION PROBLEMS DURING POLYMERIZATION OR MOLDING; EXCELLENT IN ALKALI RESISTANCE, HEAT RESISTANCE; NOT COLORED WHERE ALKALIS OR METAL IONS ARE PRESENT; EXCELLENT ULTRAVIOLET ABSORPTIVITY; WEATHERING OTSUKA CHEMICAL CO., LTD. (JP) 2000-07-04 US disclosed
EP-0924203-A1 2,2'-BIS(6-BENZOTRIAZOLYLPHENOL) COMPOUNDS, ULTRAVIOLET ABSORBERS COMPRISING THE SAME, COPOLYMERS CONTAINING THE SAME, AND POLYMER COMPOSITIONS CONTAINING THE SAME OTSUKA CHEMICAL COMPANY, LIMITED (JP) 1999-06-23 EP disclosed