SCHEMBL24650552

SCHEMBL24650552

COc1cc2c(cc1CCCC(=O)O)CC(N)C2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 2/20 0.43
▸ SLC2A1 P11166 1/20 0.40
▸ SLC10A2 Q12908 1/20 0.39
▸ ADRA1D P25100 3/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ AADAT Q8N5Z0 1/20 0.37
▸ SELP P16109 1/20 0.37
▸ F13A1 P00488 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL24650513 0.87 TSHR (0.36) ALDH1A1POLBF13A1
SCHEMBL24650948 0.84 SLC2A1 (0.41) SLC2A1KMT2A
SCHEMBL24650553 0.82 SLC2A1 (0.40) SLC2A1ADRA1AALDH1A1POLBAADAT
SCHEMBL24650743 0.82 TSHR (0.44) SLC10A2FFAR4ALDH1A1
SCHEMBL9370651 0.82 SLC2A1 (0.58) STING1SLC2A1FFAR4POLBF13A1
SCHEMBL24650550 0.81 FYN (0.52) ADRA1AALDH1A1POLBF13A1MEN1
SCHEMBL24650939 0.81 CYP4F2 (0.45) ALDH1A1KMT2A
SCHEMBL24651086 0.80 ADRA1A (0.58) ADRA1DADRA1AADRA1BPOLBSELP
SCHEMBL24650538 0.79 ALDH1A1 (0.43) ALDH1A1POLBMEN1KMT2A
SCHEMBL24650385 0.78 LMNA (0.51) ALDH1A1KMT2A

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
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