SCHEMBL28049900

SCHEMBL28049900

CC(CC(=O)c1ccccc1)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.62
MAPT P10636 4/20 0.62
ALDH1A1 P00352 3/20 0.62
HPGD P15428 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 2/20 0.62
TSHR P16473 2/20 0.55
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.50
NPC1 O15118 2/20 0.50
GAA P10253 1/20 0.49
TDP1 Q9NUW8 3/20 0.48
MAPK1 P28482 2/20 0.48
CYP3A4 P08684 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.48
CES1 P23141 1/20 0.48
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL135355 0.84 L3MBTL1 (0.66) L3MBTL1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL25645639 0.82 L3MBTL1 (0.64) L3MBTL1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8675027 0.82 L3MBTL1 (0.64) L3MBTL1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL10921663 0.81 L3MBTL1 (0.62) L3MBTL1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL10921665 0.81 L3MBTL1 (0.62) L3MBTL1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL11177908 0.81 L3MBTL1 (0.62) L3MBTL1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL11011562 0.81 L3MBTL1 (0.62) L3MBTL1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL28266215 0.80 EPHX1 (0.53) L3MBTL1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL17992038 0.80 ALDH1A1 (0.57) L3MBTL1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL16274031 0.80 TSHR (0.59) L3MBTL1MAPTALDH1A1HPGDSMN1; 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
CN-105263915-A Glutamase inhibitors and method of use AGIOS PHARMACEUTICALS INC 2016-01-20 CN disclosed