SCHEMBL24650995

SCHEMBL24650995

NC1Cc2cc(O)c(OCC(=O)O)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.52
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
PTGDR2 Q9Y5Y4 8/20 0.37
PTGDR Q13258 4/20 0.37
PTGER2 P43116 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CD69 Q07108 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL24650406 0.85 FYN (0.49) FYNMAPTHSD17B10NFKB1THPO
SCHEMBL24650753 0.84 FYN (0.47) FYNMAPTHSD17B10NFKB1THPO
SCHEMBL24650396 0.84 FYN (0.47) FYNMAPTHSD17B10NFKB1THPO
SCHEMBL24650997 0.83 POLB (0.49) HSD17B10ALDH1A1KDM4EPTGDR2POLB
SCHEMBL24650996 0.83 L3MBTL1 (0.53) FYNMAPTHSD17B10ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4780777 0.82 PKM (0.47) FYNHSD17B10TDP1PTGDR2PTGDR
SCHEMBL24650393 0.81 FYN (0.45) FYNMAPTHSD17B10USP2ALDH1A1
SCHEMBL24651005 0.75 TDP1 (0.38) HSD17B10TDP1PTGDR2PTGDRPTGER2
SCHEMBL24650755 0.75 MAPT (0.45) FYNMAPTHSD17B10NFKB1THPO
SCHEMBL24650912 0.74 ADRA1A (0.42) MAPTHSD17B10ALDH1A1KDM4ETDP1

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-2022238507-A1 THERAPEUTIC AMINOINDANE COMPOUNDS AND COMPOSITIONS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2022-11-17 WO disclosed