SCHEMBL11241002

SCHEMBL11241002

O=C(O)[C@H](Cc1ccccc1)NCc1ccco1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
MAPT P10636 1/20 0.61
GAA P10253 1/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
PSMB1 P20618 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB2 P49721 1/20 0.49
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 2/20 0.49
SGMS2 Q8NHU3 1/20 0.48
POLB P06746 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
APEX1 P27695 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL11768634 0.89 MAPT (0.52) L3MBTL1MAPTGAAPKMKMT2A
SCHEMBL11768640 0.89 MAPT (0.52) L3MBTL1MAPTGAAPKMKMT2A
SCHEMBL8962795 0.82 L3MBTL1 (0.49) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL8962801 0.82 L3MBTL1 (0.49) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL6945061 0.82 L3MBTL1 (0.62) L3MBTL1MAPTGAAPKMALDH1A1
SCHEMBL6945066 0.82 L3MBTL1 (0.62) L3MBTL1MAPTGAAPKMALDH1A1
SCHEMBL497336 0.81 MME (0.56) PSMB5ALDH1A1NPSR1
SCHEMBL73955 0.81 MME (0.56) PSMB5ALDH1A1NPSR1
SCHEMBL11581853 0.81 MME (0.56) PSMB5ALDH1A1NPSR1
SCHEMBL4677601 0.79 TDP1 (0.50) L3MBTL1MAPTGAAALDH1A1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0067641-A2 Amino acids BEECHAM GROUP PLC (GB) 1982-12-22 EP claimed
EP-0067641-A2 Amino acids BEECHAM GROUP PLC (GB) 1982-12-22 EP disclosed