SCHEMBL9060273

SCHEMBL9060273

CCCCCCCCCCC(C)OC(=O)CSS(=O)(=O)Nc1c(OC)cc(OC)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
ACAT1 P24752 1/20 0.45
SOAT1 P35610 1/20 0.45
FAAH O00519 4/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MMP9 P14780 2/20 0.37
MMP13 P45452 2/20 0.37
ADAM17 P78536 2/20 0.37
MMP1 P03956 1/20 0.37

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
SCHEMBL9060278 0.83 KDM4E (0.48) MAPTKDM4ETP53CYP3A4ALOX15
SCHEMBL9063470 0.80
SCHEMBL8962453 0.77 MAPT (0.42) MAPTKDM4ETP53CYP3A4ALOX15
SCHEMBL8856463 0.70 KDM4E (0.63) MAPTKDM4ETP53CYP3A4ALOX15
SCHEMBL9498075 0.69 KDM4E (0.58) MAPTKDM4ETP53CYP3A4ALOX15
SCHEMBL9498087 0.69 KDM4E (0.58) MAPTKDM4ETP53CYP3A4ALOX15
SCHEMBL7572036 0.69 KDM4E (0.50) MAPTKDM4ETP53CYP3A4ALOX15
SCHEMBL7570251 0.69 KDM4E (0.52) MAPTKDM4ETP53CYP3A4ALOX15
SCHEMBL8962452 0.68 KDM4E (0.48) MAPTKDM4ETP53CYP3A4ALOX15
SCHEMBL13771852 0.67 KDM4E (0.68) MAPTKDM4ETP53CYP3A4ALOX15

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
WO-1996019446-A1 β-CARBOXY SULFONAMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 WO claimed