SCHEMBL5014607

SCHEMBL5014607

CC1(OC(=O)CCSCCC(=O)OC2(C)CCCC2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5012977 0.98 CYP19A1 (0.46) CYP19A1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL5014608 0.93 LMNA (0.47) CYP19A1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL5012980 0.92 LMNA (0.45) CYP19A1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL13588108 0.85 CYP19A1 (0.45) CYP19A1
SCHEMBL31497999 0.84 CYP19A1 (0.37) CYP19A1
SCHEMBL25397835 0.84 CYP19A1 (0.53) CYP19A1LMNA
SCHEMBL28942493 0.82 CYP19A1 (0.47) CYP19A1SMN1; SMN2LMNAKMT2A
SCHEMBL14478385 0.80 CYP19A1 (0.46) CYP19A1ALDH1A1LMNA
SCHEMBL1447086 0.80 CYP19A1 (0.50) CYP19A1SMN1; SMN2LMNAKMT2A
SCHEMBL5012962 0.79

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1947725-A2 Polymer electrolyte composition and fuel cell Sumitomo Chemical Company, Limited (JP) 2008-07-23 EP disclosed
EP-1289041-B1 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL CO (JP) 2008-03-12 EP disclosed
US-20030113605-A1 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-19 US disclosed
EP-1289041-A2 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-05 EP disclosed