SCHEMBL4735009

SCHEMBL4735009

COc1ccccc1COC(=O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.56
SERPINE1 P05121 4/20 0.54
SPHK2 Q9NRA0 2/20 0.53
SPHK1 Q9NYA1 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
TTR P02766 1/20 0.49
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.47
XDH P47989 1/20 0.47
GFER P55789 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
FUT7 Q11130 1/20 0.47

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
SCHEMBL9271624 0.84 LMNA (0.57) MEN1KMT2AALDH1A1TSHRTTR
SCHEMBL6667180 0.83 PPARG (0.58) L3MBTL1MEN1KMT2AALDH1A1TSHR
SCHEMBL4734719 0.83 TYR (0.72) TYRSERPINE1L3MBTL1
SCHEMBL9330680 0.79 ALDH1A1 (0.55) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL9750015 0.79 TYR (0.58) TYRSERPINE1L3MBTL1TDP1
SCHEMBL6762582 0.79 L3MBTL1 (0.48) L3MBTL1MEN1KMT2AALDH1A1TSHR
SCHEMBL7165265 0.79 KMT2A (0.55) L3MBTL1MEN1KMT2AALDH1A1TSHR
SCHEMBL1355645 0.78 HSD17B2 (0.68) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL4783142 0.78 TYR (0.54) TYRSERPINE1L3MBTL1KDM4ELMNA
SCHEMBL4735158 0.78 SERPINE1 (0.54) TYRSERPINE1L3MBTL1KMT2AALDH1A1

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-2008065527-A2 GALLIC ACID ESTERS OF FRAGRANT ALCOHOLS GHISALBERTI CARLO (BR) 2008-06-05 WO disclosed