SCHEMBL9463247

SCHEMBL9463247

COC(=O)C(C)C(Nc1cc(Cl)cc(Cl)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ GRN P28799 1/20 0.36
▸ SORT1 Q99523 1/20 0.36
▸ RAPGEF3 O95398 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 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
SCHEMBL11196382 0.82 MMP2 (0.42) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11196384 0.82 MMP2 (0.42) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6707517 0.74 ALDH1A1 (0.43) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL6707516 0.74 ALDH1A1 (0.43) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7677860 0.72 MEN1 (0.51) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7680143 0.72 MEN1 (0.51) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7677855 0.72 MEN1 (0.51) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8785620 0.69 L3MBTL1 (0.49) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL4411790 0.68 L3MBTL1 (0.41) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL4411793 0.68 L3MBTL1 (0.41) L3MBTL1ALDH1A1MEN1KMT2AMAPT

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
US-5231102-A Tetrahydroquinoline derivatives useful for neurodegenerative disorders MERCK SHARP & DOHME, LTD. (GB) 1993-07-27 — — US disclosed
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