SCHEMBL25987693

SCHEMBL25987693

O=C(NCCc1ccc(O)c(O)c1)Oc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.68
GAA P10253 4/20 0.58
TAAR1 Q96RJ0 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
ERCC1 P07992 2/20 0.58
ERCC4 Q92889 2/20 0.58
TRPV1 Q8NER1 1/20 0.58
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
PTGS1 P23219 1/20 0.57
BLM P54132 1/20 0.57
HIF1A Q16665 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GLI1 P08151 1/20 0.57
GLI2 P10070 1/20 0.57
MEN1 O00255 1/20 0.56

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
SCHEMBL18273967 0.85 MAPT (0.74) SLC7A5GAATAAR1NPC1RAB9A
SCHEMBL7371177 0.82 TRPV1 (0.60) SLC7A5GAAERCC1ERCC4TRPV1
SCHEMBL9267271 0.81 TAAR1 (0.76) GAATAAR1NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL4187499 0.81 TRPV1 (0.59) SLC7A5GAAERCC1ERCC4TRPV1
SCHEMBL3279938 0.80 ALDH1A1 (0.68) GAATAAR1NPC1RAB9AMAPT
SCHEMBL6261219 0.79 SLC7A5 (0.60) SLC7A5GAATAAR1NPC1RAB9A
SCHEMBL6420228 0.78 MAPT (0.72) GAAERCC1ERCC4TRPV1MAPT
SCHEMBL30668181 0.78 MEN1 (0.82) SLC7A5GAARAB9AERCC1ERCC4
SCHEMBL13055389 0.78 TAAR1 (0.60) GAATAAR1NPC1RAB9AHSD17B10
SCHEMBL28557038 0.77 MAPT (0.65) SLC7A5GAANPC1RAB9AERCC1

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-2023139163-A1 1,3-BENZODIOXOLE ESTERS AND THEIR THERAPEUTIC USE AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2023-07-27 WO disclosed