SCHEMBL24650378

SCHEMBL24650378

COc1cc(OCC(=O)O)cc2c1CC(N)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
LMNA P02545 1/20 0.41
ADRA1A P35348 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 2/20 0.39
PTPRB P23467 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
MCL1 Q07820 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CD69 Q07108 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL24650379 0.90 L3MBTL1 (0.43) LMNAPOLBHSD17B10ALOX15TSHR
SCHEMBL24650391 0.88 CA1 (0.42) CA1CA2ACHELMNAADRA1A
SCHEMBL24650401 0.87 LMNA (0.43) CA1CA2ACHELMNAADRA1A
SCHEMBL24650745 0.86 PPARD (0.40) CA1CA2ACHEADRA1ATSHR
SCHEMBL24650404 0.85 MEN1 (0.43) CA1CA2ACHELMNAPOLB
SCHEMBL24650731 0.81 HPGD (0.40) CA1CA2ACHEADRA1AHPGD
SCHEMBL24651156 0.81 LMNA (0.43) CA1CA2ACHELMNAADRA1A
SCHEMBL24650407 0.80 CA1 (0.40) CA1CA2ACHEADRA1AHPGD
SCHEMBL24650997 0.79 POLB (0.49) CA1CA2LMNAPOLBSMN1; SMN2
SCHEMBL24650913 0.79 ACHE (0.42) CA1CA2ACHELMNAADRA1A

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