SCHEMBL10676201

SCHEMBL10676201

CC(=O)c1ccc(-c2ccc(OCCN(C)C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ GAA P10253 1/20 0.62
▸ MAOB P27338 2/20 0.56
▸ ESR1 P03372 2/20 0.54
▸ MAPT P10636 4/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ BCHE P06276 1/20 0.53
▸ ACHE P22303 1/20 0.53
▸ LSS P48449 1/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.51
▸ ESRRB O95718 1/20 0.51
▸ POLB P06746 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ NFE2L2 Q16236 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ LTA4H P09960 1/20 0.50

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
SCHEMBL631252 0.95 L3MBTL1 (0.70) L3MBTL1GAAMAOBESR1MAPT
Hydrochloric Acid SCHEMBL5412869 0.93 L3MBTL1 (0.68) L3MBTL1GAAMAOBESR1MAPT
SCHEMBL9360319 0.89 GAA (0.71) L3MBTL1GAAMAOBMAPTALDH1A1
SCHEMBL8126082 0.87 RARB (0.63) ESR1BCHEACHELSSPOLB
SCHEMBL14287626 0.87 L3MBTL1 (0.73) L3MBTL1GAAMAOBMAPTALDH1A1
SCHEMBL8137583 0.84 MAPT (0.68) L3MBTL1ESR1MAPTALDH1A1BCHE
SCHEMBL6057420 0.83 ESR1 (0.59) GAAESR1MAPTALDH1A1BCHE
SCHEMBL1981044 0.81 PKM (0.62) ESR1MAPTALDH1A1BCHEACHE
SCHEMBL5151604 0.81 L3MBTL1 (0.70) L3MBTL1GAAMAOBMAPTALDH1A1
SCHEMBL13139921 0.81 L3MBTL1 (0.70) L3MBTL1GAAMAOBMAPTALDH1A1

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-4764533-A ANTITUMOR KLINGE PHARMA GMBH (DE) 1988-08-16 — — US disclosed
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