SCHEMBL8962453

SCHEMBL8962453

CCCCCCCCCCC(C)OC(=S)CS(=O)(=O)Nc1c(OC)cc(OC)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ACAT1 P24752 1/20 0.42
SOAT1 P35610 1/20 0.42
MMP9 P14780 2/20 0.36
MMP13 P45452 2/20 0.36
ADAM17 P78536 2/20 0.36
MMP1 P03956 1/20 0.36
FAAH O00519 1/20 0.35

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
SCHEMBL8962485 0.78 SOAT1 (0.50) SOAT1
SCHEMBL8962495 0.78 SOAT1 (0.50) SOAT1
SCHEMBL8962356 0.78 SOAT1 (0.50) SOAT1
SCHEMBL8962520 0.78 SOAT1 (0.50) SOAT1
SCHEMBL8962541 0.78 SOAT1 (0.50) SOAT1
SCHEMBL9060273 0.77 MAPT (0.45) MAPTKDM4ETP53CYP3A4ALOX15
SCHEMBL8962397 0.74 KMT2A (0.38) MAPTKDM4ESOAT1
SCHEMBL8962452 0.74 KDM4E (0.48) MAPTKDM4ETP53CYP3A4ALOX15
SCHEMBL9063047 0.74 MAPT (0.40) MAPTKDM4ETP53CYP3A4ALOX15
SCHEMBL8962772 0.73 SOAT1 (0.46) SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5491170-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-02-13 US disclosed