SCHEMBL7739362

SCHEMBL7739362

CC=CC(=O)OCCCc1cc(Cc2cc(CCCOC(=O)C=CC)cc(-n3nc4ccc(Br)cc4n3)c2O)c(O)c(-n2nc3ccc(Br)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
EGFR P00533 3/20 0.33
ERBB2 P04626 1/20 0.32
LMNA P02545 1/20 0.30
ATM Q13315 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
SCHEMBL7737134 0.91 ALOX5 (0.41) AKR1B10AKR1B1METALOX5
SCHEMBL7736865 0.90 AKR1B10 (0.37) AKR1B10AKR1B1METALOX5
SCHEMBL7739360 0.84 TNKS2 (0.32) LMNAATM
SCHEMBL7736240 0.81 POLB (0.33) LMNAATM
SCHEMBL7268057 0.80 ALOX5 (0.44) AKR1B10AKR1B1METALOX5EGFR
SCHEMBL74867 0.79 NPC1 (0.33)
SCHEMBL7736241 0.78 NPC1 (0.30)
SCHEMBL74481 0.78 NPC1 (0.33)
SCHEMBL7736243 0.78 MCL1 (0.30)
SCHEMBL227536 0.78 AKR1B10 (0.36) AKR1B10AKR1B1METALOX5

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