SCHEMBL24650387

SCHEMBL24650387

Cc1cc(OCCC(=O)O)cc(O)c1CC(C)N

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ THRB P10828 5/20 0.41
▸ THRA P10827 4/20 0.41
▸ DPP4 P27487 1/20 0.37

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
SCHEMBL23017953 0.72 THRB (0.79) THRBTHRA
SCHEMBL4072199 0.72 MCL1 (0.62) MCL1L3MBTL1
SCHEMBL15464819 0.70 MCL1 (0.70) MCL1L3MBTL1
SCHEMBL16503434 0.69 MCL1 (0.68) MCL1L3MBTL1THRBTHRA
SCHEMBL3731595 0.68 L3MBTL1 (0.67) MCL1L3MBTL1
SCHEMBL3723832 0.67 L3MBTL1 (0.66) MCL1L3MBTL1
SCHEMBL12207085 0.66 MCL1 (0.62) MCL1L3MBTL1THRBTHRA
SCHEMBL45405 0.65 USP2 (0.49) L3MBTL1THRBTHRA
SCHEMBL4880533 0.65 USP2 (0.49) L3MBTL1THRBTHRA
SCHEMBL16480582 0.65 MCL1 (0.69) MCL1L3MBTL1

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
Send feedback