SCHEMBL14823036

SCHEMBL14823036

CC[C@@H](CC(=O)O)NC(=O)Nc1cccc(-n2cccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ AOC2 O75106 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NR1I2 O75469 1/20 0.37

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
SCHEMBL13410003 0.87 CTDSP1 (0.38) CA12CA1CA2CA9L3MBTL1
SCHEMBL3693612 0.77 CPT2 (0.45) CA12CA1CA2CA9L3MBTL1
SCHEMBL14822903 0.77 MAPK1 (0.52) PKMCA12CA1CA2CA9
SCHEMBL14822987 0.73 PKM (0.54) PKMALDH1A1MEN1KMT2A
SCHEMBL4892738 0.73 AOC2 (0.50) PKML3MBTL1CTDSP1AOC2MAPT
SCHEMBL2643881 0.72 ALDH1A1 (0.56) L3MBTL1CTDSP1AOC2ALDH1A1POLB
SCHEMBL6375568 0.71 PKM (0.66) PKML3MBTL1LMNAALDH1A1POLB
SCHEMBL14822898 0.71 ALDH1A1 (0.58) PKML3MBTL1LMNAMAPTALDH1A1
SCHEMBL14823033 0.70 CYP2C9 (0.64) PKMCA12CA1CA2CA9
SCHEMBL14823053 0.69 FFAR1 (0.48) PKMLMNAMAPTPOLBTP53

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-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 — — US disclosed
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