SCHEMBL7737084

SCHEMBL7737084

C=CC(=O)OC(C)c1cc(Cc2cc(C(C)OC(=O)C=C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 6/20 0.34
HPGD P15428 4/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR139 Q6DWJ6 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
GLA P06280 1/20 0.30
GAA P10253 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
SCHEMBL5280367 0.85 NPC1 (0.38) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL25409885 0.84 NPC1 (0.36) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL7736252 0.83 NPC1 (0.36) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL5276856 0.83 NPC1 (0.37) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL6535795 0.82 NPC1 (0.48) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL8082025 0.82 NPC1 (0.34) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL5274123 0.81 NPC1 (0.36) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL6753077 0.80 NPC1 (0.34) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL20363907 0.79 NPC1 (0.47) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4444920 0.78 NPC1 (0.46) NPC1RAB9APOLBALDH1A1SMN1; SMN2

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