SCHEMBL5281995

SCHEMBL5281995

COC(=O)[C@H](O)c1ccc(O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 5/20 0.51
TSHR P16473 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TDP1 Q9NUW8 9/20 0.47
KDM4E B2RXH2 7/20 0.47
MAPT P10636 6/20 0.47
RECQL P46063 5/20 0.47
HSD17B10 Q99714 4/20 0.47
KMT2A Q03164 3/20 0.47
ADRB2 P07550 3/20 0.47
HIF1A Q16665 3/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 2/20 0.47
ADRA1A P35348 2/20 0.47
MTOR P42345 2/20 0.47
APEX1 P27695 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ADRB1 P08588 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 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
SCHEMBL5092494 1.00 BLM (0.51) BLMTSHRNPSR1TDP1KDM4E
SCHEMBL3835765 0.86 TRPA1 (0.52) BLMTSHRNPSR1RECQLKMT2A
SCHEMBL9129786 0.84 NPSR1 (0.55) BLMTSHRNPSR1TDP1MAPT
SCHEMBL13816533 0.84 TSHR (0.73) BLMTSHRNPSR1TDP1KMT2A
SCHEMBL5283426 0.82 CA12 (0.53) BLMTSHRNPSR1TDP1KDM4E
SCHEMBL5283420 0.82 CA12 (0.53) BLMTSHRNPSR1TDP1KDM4E
SCHEMBL13176797 0.81 MT-CO2 (0.59) BLMTSHRTDP1KDM4EMAPT
SCHEMBL13400917 0.80 TDP1 (0.49) BLMTSHRTDP1KDM4EMAPT
SCHEMBL19565602 0.80 TDP1 (0.66) BLMTSHRTDP1KDM4EMAPT
SCHEMBL19565604 0.80 TDP1 (0.66) BLMTSHRTDP1KDM4EMAPT

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-2007009590-A1 PROCESS FOR THE PREPARATION OF PHENOLIC COMPOUNDS DSM IP ASSETS B.V. (NL) 2007-01-25 WO disclosed