SCHEMBL20847663

SCHEMBL20847663

O=C(Cc1ccc(O)c(O)c1)OCCO

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YWHAG P61981 1/20 0.76
APP P05067 4/20 0.57
GAA P10253 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
TSHR P16473 2/20 0.55
RGS12 O14924 1/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.55
NFKB1 P19838 1/20 0.55
APEX1 P27695 1/20 0.55
THPO P40225 1/20 0.55
BLM P54132 1/20 0.55
GNAI1 P63096 1/20 0.55
PMP22 Q01453 1/20 0.55
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 2/20 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
SCHEMBL28275080 0.82 YWHAG (0.85) YWHAGAPPGAAKDM4EMAPT
SCHEMBL20914967 0.81 YWHAG (0.82) YWHAGAPPGAAKDM4EMAPT
SCHEMBL31741653 0.81 YWHAG (0.68) YWHAGAPPGAAKDM4EMAPT
SCHEMBL4140693 0.81 YWHAG (0.68) YWHAGAPPGAAKDM4EMAPT
SCHEMBL2485196 0.80 CA2 (0.50) YWHAGGAATSHRALDH1A1CA2
SCHEMBL22471820 0.80 YWHAG (0.66) YWHAGAPPMAPTHSD17B10TRPV1
SCHEMBL22471866 0.80 YWHAG (0.66) YWHAGAPPMAPTHSD17B10TRPV1
SCHEMBL31296574 0.80 YWHAG (0.66) YWHAGAPPMAPTHSD17B10TRPV1
SCHEMBL22471786 0.80 YWHAG (0.66) YWHAGAPPMAPTHSD17B10TRPV1
SCHEMBL22471841 0.80 YWHAG (0.66) YWHAGAPPMAPTHSD17B10TRPV1

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-2019059850-A1 NANOPARTICLE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-28 WO disclosed