SCHEMBL7736252

SCHEMBL7736252

C=CC(=O)OC(C)Cc1cc(Cc2cc(CC(C)OC(=O)C=C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.36
RAB9A P51151 7/20 0.36
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 7/20 0.35
HPGD P15428 5/20 0.35
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 3/20 0.33
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE6D O43924 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
SCHEMBL8082025 0.90 NPC1 (0.34) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL7729398 0.86 NPC1 (0.36) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL5072344 0.84 NPC1 (0.45) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL7737084 0.83 NPC1 (0.37) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL28717111 0.82 NPC1 (0.34) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL7736256 0.80 THRB (0.40) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL7736243 0.80 MCL1 (0.30)
SCHEMBL7566053 0.79 NPC1 (0.44) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL27433611 0.78 NPC1 (0.44) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL23673976 0.77 ALDH1A1 (0.34) NPC1RAB9AALDH1A1KDM4EHPGD

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