SCHEMBL6927170

SCHEMBL6927170

CCCCCS(=O)(=O)C/C=C(\C)CCC=C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ALOX15 P16050 3/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 2/20 0.43
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
PPARG P37231 2/20 0.42
SQLE Q14534 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
TRPV1 Q8NER1 2/20 0.42
TRPA1 O75762 1/20 0.42
INHA P05111 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
OPRM1 P35372 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL6927178 1.00 KMT2A (0.46) KMT2AALOX15MEN1CYP3A4FNTA
SCHEMBL6471289 0.98 KMT2A (0.48) KMT2AALOX15MEN1CYP3A4FNTA
SCHEMBL10759447 0.84 CA2 (0.45) ALDH1A1MAPT
SCHEMBL16654337 0.82 KMT2A (0.60) KMT2AALOX15MEN1CYP3A4FNTA
SCHEMBL1685900 0.82 KMT2A (0.60) KMT2AALOX15MEN1CYP3A4FNTA
SCHEMBL1685901 0.82 KMT2A (0.60) KMT2AALOX15MEN1CYP3A4FNTA
SCHEMBL9017121 0.81 KMT2A (0.64) KMT2AALOX15MEN1CYP3A4FNTA
SCHEMBL10986149 0.81 KMT2A (0.64) KMT2AALOX15MEN1CYP3A4FNTA
Squalene SCHEMBL6425147 0.77 KMT2A (0.77) KMT2AALOX15MEN1CYP3A4FNTA
Squalene SCHEMBL27987016 0.77 KMT2A (0.77) KMT2AALOX15MEN1CYP3A4FNTA

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
JP-2004137244-A METHOD FOR PRODUCING GERANYL ARYL SULFONE SUMITOMO CHEM CO LTD 2004-05-13 JP disclosed
JP-2004137244-A METHOD FOR PRODUCING GERANYL ARYL SULFONE SUMITOMO CHEM CO LTD 2004-05-13 JP disclosed
JP-2001213860-A METHOD FOR PRODUCING ARYL ALLYL SULFONE SUMITOMO CHEM CO LTD 2001-08-07 JP disclosed
JP-2001139542-A METHOD FOR PRODUCTION OF BETA-CYCLOGERANYLARYLSULFONE SUMITOMO CHEM CO LTD 2001-05-22 JP disclosed