SCHEMBL7736256

SCHEMBL7736256

C=CC(=O)OCCc1cc(Cc2cc(CCOC(=O)C=C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
AKR1B10 O60218 5/20 0.34
AKR1B1 P15121 5/20 0.34
ALOX5 P09917 4/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 3/20 0.34
TP53 P04637 3/20 0.34
TSHR P16473 3/20 0.34
HIF1A Q16665 3/20 0.34
APP P05067 2/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
ALOX12 P18054 2/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7027917 0.95 THRB (0.36) THRBNPC1RAB9AHCAR2AKR1B10
SCHEMBL7024606 0.94 NPC1 (0.43) THRBNPC1RAB9AAKR1B10AKR1B1
SCHEMBL7032209 0.88 NPC1 (0.42) THRBNPC1RAB9AAKR1B10AKR1B1
SCHEMBL7737093 0.88 THRB (0.36) THRBNPC1RAB9AHCAR2AKR1B10
SCHEMBL27503098 0.87 THRB (0.38) THRBNPC1RAB9AHCAR2AKR1B10
SCHEMBL2777975 0.87 NPC1 (0.40) THRBNPC1RAB9AHCAR2AKR1B10
SCHEMBL7033730 0.86 ALOX5 (0.34) THRBNPC1RAB9AAKR1B10AKR1B1
SCHEMBL5280370 0.84 ALOX5 (0.37) NPC1RAB9AALOX5POLBALDH1A1
SCHEMBL25409880 0.84 GAA (0.39) THRBNPC1RAB9AAKR1B10AKR1B1
SCHEMBL7736250 0.84 NPC1 (0.37) THRBNPC1RAB9AALOX5POLB

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