SCHEMBL6479838

SCHEMBL6479838

C=CC(C)(O)CC.C=CCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31

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
SCHEMBL14371227 0.82
SCHEMBL123229 0.82
SCHEMBL7624149 0.77 MEN1 (0.33) ALOX15MEN1CYP3A4KMT2A
Alcohol SCHEMBL8917406 0.77 ALOX15 (0.43) ALOX15MEN1CYP3A4KMT2A
Benzene SCHEMBL12467314 0.75 ALOX15 (0.41) ALOX15MEN1CYP3A4KMT2A
SCHEMBL21208 0.74
SCHEMBL6375418 0.71 TSHR (0.33)
Ammonia Solution, Strong SCHEMBL8388110 0.71
Ammonia Solution, Strong SCHEMBL2430803 0.71
Ethylene SCHEMBL1072149 0.71

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-6924147-B2 Method of making a polymeric food spoilage sensor THE JOHNS HOPKINS UNIVERSITY (US) 2005-08-02 US disclosed