SCHEMBL24650952

SCHEMBL24650952

NC1Cc2ccc(O)c(CCCCC(=O)O)c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SCD O00767 1/20 0.35
NR5A2 O00482 1/20 0.34
FYN P06241 1/20 0.34
F13A1 P00488 3/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
GAA P10253 1/20 0.33
TBXAS1 P24557 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
HDAC3 O15379 1/20 0.32
MAPK1 P28482 1/20 0.32
ADRA1A P35348 1/20 0.32
HDAC4 P56524 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL24651088 0.96 SLC22A12 (0.39) SLC22A12MAPTRXFP1FYNDRD2
SCHEMBL24650931 0.85 HPGD (0.36) NR5A2GAAADRA1A
SCHEMBL24651023 0.84 CYP4F2 (0.42) GAATBXAS1SMN1; SMN2
SCHEMBL24650953 0.82 ADRA1A (0.44) SCDDRD2DRD3MAPK1ADRA1A
SCHEMBL24650891 0.81 HSD17B10 (0.41) MAPTFYNDRD2DRD3GAA
SCHEMBL24651000 0.81 MIF (0.36) MAPTGAAADRA1A
SCHEMBL24650959 0.80 LTB4R (0.38) SCDTBXAS1ADRA1A
SCHEMBL24651004 0.80 CYP1A2 (0.39) GAAMAPK1SMN1; SMN2
SCHEMBL24650946 0.79 F13A1 (0.42) MAPTRXFP1SCDF13A1DRD2
SCHEMBL24650257 0.77 DRD3 (0.35) FYNDRD2DRD3

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