SCHEMBL6060001

SCHEMBL6060001

COc1cc(CC(O)C(=O)CC(C)C)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.61
TTR P02766 1/20 0.61
JUN P05412 1/20 0.61
NR3C1 P04150 1/20 0.61
HSD17B1 P14061 1/20 0.61
HSD17B2 P37059 1/20 0.61
ALOX15 P16050 3/20 0.57
ALOX12 P18054 3/20 0.57
CYP3A4 P08684 2/20 0.55
MMP1 P03956 1/20 0.55
TSHR P16473 3/20 0.52
GAA P10253 3/20 0.52
ALDH1A1 P00352 1/20 0.52
NFKB1 P19838 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TRPV1 Q8NER1 2/20 0.50
ALOX5 P09917 1/20 0.49
OR51E2 Q9H255 1/20 0.49
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL31167480 0.82 KDM6B (0.66) FOSTTRJUNNR3C1HSD17B1
SCHEMBL2454609 0.82 KDM6B (0.66) FOSTTRJUNNR3C1HSD17B1
SCHEMBL29426370 0.82 KDM6B (0.66) FOSTTRJUNNR3C1HSD17B1
SCHEMBL6060531 0.81 GAA (0.57) FOSTTRJUNNR3C1HSD17B1
SCHEMBL6059753 0.81 FOS (0.49) FOSTTRJUNNR3C1HSD17B1
SCHEMBL6060322 0.81 FOS (0.49) FOSTTRJUNNR3C1HSD17B1
SCHEMBL6060134 0.80 TRPV1 (0.57) FOSTTRJUNNR3C1HSD17B1
SCHEMBL11571527 0.80 FOS (0.80) FOSTTRJUNNR3C1HSD17B1
SCHEMBL23270350 0.80 FOS (0.60) FOSTTRJUNNR3C1HSD17B1
SCHEMBL6059316 0.79 FOS (0.52) FOSTTRJUNNR3C1HSD17B1

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-2006125276-A1 PHENYLALKANOL COMPOUNDS ZINGOTX PTY LTD (AU) 2006-11-30 WO disclosed