SCHEMBL11651041

SCHEMBL11651041

CCOc1cc(C2NC(=O)NC2=O)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 12/20 1.00
▸ MAPK10 P53779 1/20 0.59
▸ POLB P06746 1/20 0.58
▸ MAPT P10636 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ KMT2A Q03164 2/20 0.49
▸ PIM1 P11309 1/20 0.49
▸ PIM3 Q86V86 1/20 0.49
▸ PIM2 Q9P1W9 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ AR P10275 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL11652970 0.85 GAA (0.73) GAAMAPK10MAPTALDH1A1L3MBTL1
SCHEMBL9163270 0.78 GAA (0.62) GAAPOLBMAPTALDH1A1LMNA
SCHEMBL10736333 0.77 GAA (0.62) GAAMAPK10POLBMAPTALDH1A1
SCHEMBL30019705 0.76 GAA (0.61) GAAMAPK10POLBMAPTALDH1A1
SCHEMBL11083170 0.74 GAA (0.58) GAAPOLBMAPTALDH1A1LMNA
SCHEMBL8354029 0.74 GAA (0.58) GAAMAPTALDH1A1L3MBTL1KMT2A
SCHEMBL8769893 0.73 GAA (0.58) GAAPOLBMAPTALDH1A1LMNA
SCHEMBL15976549 0.72 GAA (0.77) GAAMAPK10L3MBTL1KMT2AMEN1
SCHEMBL31546026 0.71 GAA (0.55) GAAMAPK10MAPTALDH1A1NPC1
SCHEMBL13527924 0.70 TDP1 (0.80) GAAMAPK10MAPTALDH1A1NPC1

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-4094741-A CULTURES, ASYMMETRIC HYDROLYSIS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1978-06-13 — — US disclosed
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