SCHEMBL24650751

SCHEMBL24650751

NC1Cc2ccc(OCCCC(=O)O)c(O)c2C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.40
TSHR P16473 1/20 0.40
CYSLTR2 Q9NS75 6/20 0.37
CYSLTR1 Q9Y271 6/20 0.37
FFAR4 Q5NUL3 3/20 0.37
RAB9A P51151 1/20 0.36
S1PR5 Q9H228 2/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL24650403 0.93 LMNA (0.39) PTGDR2TSHRCYSLTR2CYSLTR1FFAR4
SCHEMBL24650729 0.86 MAPT (0.45) TSHRADRA1A
SCHEMBL24651005 0.85 TDP1 (0.38) PTGDR2TSHRADRA1A
SCHEMBL24650412 0.84 PDE4A (0.44) CYSLTR2CYSLTR1
SCHEMBL24650741 0.84 ADRA1A (0.41) PTGDR2TSHRFFAR4ADRA1A
SCHEMBL24650747 0.82 ADRA1A (0.39) ADRA1A
SCHEMBL24650257 0.82 DRD3 (0.35) TSHRFFAR4S1PR5
SCHEMBL24650815 0.81 PTGDR2 (0.41) PTGDR2TSHRCYSLTR2CYSLTR1FFAR4
SCHEMBL24650727 0.80 PDE4A (0.38) TSHRADRA1A
SCHEMBL24650248 0.80 PTGDR2 (0.41) PTGDR2TSHRFFAR4RAB9AS1PR5

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