SCHEMBL8980129

SCHEMBL8980129

O=CC(=O)Nc1ccccc1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
MAOB P27338 1/20 0.47
PKM P14618 1/20 0.46
CAPN1 P07384 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GRK2 P25098 1/20 0.42
IDH1 O75874 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41

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
SCHEMBL4172605 0.82 L3MBTL1 (0.70) L3MBTL1LMNAHTTALDH1A1HPGD
SCHEMBL8980104 0.82 MAPT (0.54) L3MBTL1LMNAHTTALDH1A1PKM
SCHEMBL2419022 0.81 L3MBTL1 (0.68) L3MBTL1LMNAHTTALDH1A1HPGD
SCHEMBL27547012 0.81 L3MBTL1 (0.68) L3MBTL1LMNAHTTALDH1A1HPGD
Hydrochloric Acid SCHEMBL11164652 0.81 L3MBTL1 (0.68) L3MBTL1LMNAHTTALDH1A1HPGD
SCHEMBL5804308 0.80 L3MBTL1 (0.67) L3MBTL1LMNAHTTALDH1A1HPGD
SCHEMBL7522410 0.79 L3MBTL1 (0.71) L3MBTL1LMNAHTTALDH1A1HPGD
SCHEMBL2814913 0.79 L3MBTL1 (0.66) L3MBTL1LMNAHTTALDH1A1HPGD
SCHEMBL9544162 0.79 L3MBTL1 (0.66) L3MBTL1LMNAHTTALDH1A1HPGD
SCHEMBL1274654 0.79 L3MBTL1 (0.65) L3MBTL1LMNAHTTALDH1A1HPGD

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-5556998-A Transition metal complex, process for the preparation of the same, and asymmetric hydrogenation catalyst comprising the same TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-09-17 US disclosed