SCHEMBL24650401

SCHEMBL24650401

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
MCL1 Q07820 1/20 0.42
HPGD P15428 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
ADRA1A P35348 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PPARD Q03181 2/20 0.36
FFAR1 O14842 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL24650745 0.94 PPARD (0.40) HPGDCA1CA2ACHEADRA1A
SCHEMBL24651156 0.91 LMNA (0.43) LMNAMCL1HPGDCA1CA2
SCHEMBL24650394 0.90 MCL1 (0.42) LMNAMCL1ACHEL3MBTL1PPARD
SCHEMBL24650731 0.89 HPGD (0.40) HPGDCA1CA2ACHEADRA1A
SCHEMBL24650378 0.87 CA1 (0.42) LMNAMCL1HPGDCA1CA2
SCHEMBL24650407 0.85 CA1 (0.40) HPGDCA1CA2ACHEADRA1A
SCHEMBL24650259 0.85 FFAR1 (0.41) LMNACA1CA2ACHEPPARD
SCHEMBL24650728 0.84 FFAR4 (0.40) MCL1ACHEPPARDFFAR1PPARG
SCHEMBL24650258 0.81 FFAR4 (0.40) ACHEPPARDFFAR1TSHRKMT2A
SCHEMBL24650391 0.81 CA1 (0.42) LMNAHPGDCA1CA2ACHE

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