SCHEMBL7736865

SCHEMBL7736865

CC=CC(=O)OCCCc1cc(Cc2cc(CCCOC(=O)C=CC)cc(-n3nc4ccc(Cl)cc4n3)c2O)c(O)c(-n2nc3ccc(Cl)cc3n2)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 7/20 0.37
AKR1B1 P15121 7/20 0.37
MET P08581 6/20 0.35
ALOX5 P09917 1/20 0.35
TLR8 Q9NR97 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL7739362 0.90 AKR1B10 (0.37) AKR1B10AKR1B1METALOX5
SCHEMBL7737134 0.90 ALOX5 (0.41) AKR1B10AKR1B1METALOX5NPC1
SCHEMBL227536 0.88 AKR1B10 (0.36) AKR1B10AKR1B1METALOX5TLR8
SCHEMBL7736862 0.84 TLR8 (0.33) TLR8NPC1RAB9ARXFP1
SCHEMBL7031951 0.82 NPC1 (0.32) AKR1B10AKR1B1ALOX5NPC1RAB9A
SCHEMBL23493184 0.82 MET (0.34) AKR1B10AKR1B1METALOX5
SCHEMBL7737484 0.82 POLB (0.33) TLR8NPC1RAB9ARXFP1
SCHEMBL21693917 0.80 APP (0.42) AKR1B10AKR1B1METALOX5
SCHEMBL74862 0.79 NPC1 (0.35) TLR8NPC1RAB9ARXFP1
SCHEMBL7268057 0.79 ALOX5 (0.44) AKR1B10AKR1B1METALOX5NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414100-B1 COMPOUND HAVING EXTREMELY LOW VAPOR PRESSURE AND HIGH DECOMPOSITION TEMPERATURE; CROSSLINKING AGENT FOR WEATHER RESISTANT POLYMERS OTSUKA CHEMICAL CO., LTD. (JP) 2002-07-02 US disclosed
EP-1055669-A1 BISBENZOTRIAZOLYLPHENOL COMPOUNDS, ULTRAVIOLET ABSORBER, ULTRAVIOLET-ABSORBING POLYMER, AND RESIN COMPOSITION AND COATING MATERIAL BOTH CONTAINING THESE OTSUKA CHEMICAL COMPANY, LIMITED (JP) 2000-11-29 EP disclosed