SCHEMBL13675544

SCHEMBL13675544

Cc1ccc(N[C@H](CC=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
TP53 P04637 5/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
LMNA P02545 2/20 0.50
NPBWR1 P48145 1/20 0.50
MCHR1 Q99705 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.41
CASR P41180 1/20 0.41
POLB P06746 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
SCHEMBL13675806 1.00 MAPT (0.50) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL7438162 0.84 ALDH1A1 (0.54) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL431571 0.78 NPBWR1 (0.54) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL7438151 0.77 MAPT (0.50) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL29157145 0.77 SMN1; SMN2 (0.52) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL11782973 0.77 MAPT (0.56) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL15218725 0.76 ALDH1A1 (0.53) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL12536011 0.75 ALDH1A1 (0.50) MAPTKMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL5995430 0.75 CNR1 (0.45) KMT2AMEN1SMN1; SMN2CYP2C19LMNA
SCHEMBL5512074 0.75 MAPT (0.52) MAPTTP53KMT2AMEN1SMN1; SMN2

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-7601842-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-13 US disclosed