SCHEMBL7737093

SCHEMBL7737093

C=CC(=O)OCCc1cc(CN(CC)CC)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.36
POLB P06746 3/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
ALOX5 P09917 2/20 0.33
AKR1B10 O60218 2/20 0.32
AKR1B1 P15121 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MET P08581 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL7736256 0.88 THRB (0.40) THRBPOLBNPC1RAB9AALOX5
SCHEMBL7737123 0.88 POLB (0.35) THRBPOLBNPC1RAB9AALOX5
SCHEMBL7024606 0.85 NPC1 (0.43) THRBPOLBNPC1RAB9AALOX5
SCHEMBL2777975 0.84 NPC1 (0.40) THRBPOLBNPC1RAB9AALOX5
SCHEMBL7027917 0.83 THRB (0.36) THRBPOLBNPC1RAB9AALOX5
SCHEMBL7736267 0.82 POLB (0.34) POLBNPC1RAB9AALOX5AKR1B10
SCHEMBL27503098 0.82 THRB (0.38) THRBPOLBNPC1RAB9AALOX5
SCHEMBL7566048 0.81 NPC1 (0.40) THRBPOLBNPC1RAB9AALDH1A1
SCHEMBL25409880 0.81 GAA (0.39) THRBPOLBNPC1RAB9AALOX5
SCHEMBL226076 0.80 NPC1 (0.48) THRBPOLBNPC1RAB9AALOX5

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