SCHEMBL24650753

SCHEMBL24650753

NC1Cc2cc(O)c(OCCCC(=O)O)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.47
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 2/20 0.42
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
PTGDR2 Q9Y5Y4 2/20 0.40
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR4 Q5NUL3 3/20 0.34
FABP3 P05413 3/20 0.34
FABP4 P15090 3/20 0.34
DRD2 P14416 1/20 0.33

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 0.93 FYN (0.49) FYNMAPTKDM4ETSHRHSD17B10
SCHEMBL24650755 0.85 MAPT (0.45) FYNMAPTKDM4ETSHRHSD17B10
SCHEMBL24650743 0.84 TSHR (0.44) MAPTTSHRALDH1A1PTGDR2FFAR4
SCHEMBL24650737 0.84 TSHR (0.44) KDM4ETSHRHSD17B10ALDH1A1PTGDR2
SCHEMBL24650995 0.84 FYN (0.52) FYNMAPTKDM4ETSHRHSD17B10
SCHEMBL24650417 0.83 PDE4A (0.43) FYNMAPTKDM4EHSD17B10NFKB1
SCHEMBL24650248 0.81 PTGDR2 (0.41) FYNMAPTKDM4ETSHRHSD17B10
SCHEMBL24650742 0.79 FYN (0.42) FYNMAPTKDM4ETSHRHSD17B10
SCHEMBL24650550 0.78 FYN (0.52) FYNMAPTKDM4EHSD17B10NFKB1
SCHEMBL24650385 0.77 LMNA (0.51) MAPTHSD17B10ALDH1A1PTGDR2KMT2A

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