SCHEMBL11114904

SCHEMBL11114904

COC(=O)Oc1ccc(-c2ccccc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
ACACB O00763 4/20 0.48
ACACA Q13085 3/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
OXTR P30559 1/20 0.47
HIF1A Q16665 1/20 0.43
DGAT1 O75907 1/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AXL P30530 1/20 0.42
MEN1 O00255 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
SCHEMBL11113084 0.86 MKNK1 (0.48) MKNK1MKNK2ACACBACACALMNA
SCHEMBL4709392 0.83 MKNK1 (0.46) MKNK1MKNK2ACACBACACANPC1
SCHEMBL29177433 0.80 MKNK1 (0.51) MKNK1MKNK2NPC1LMNAPKM
SCHEMBL11114300 0.79 CHEK1 (0.48) MKNK1MKNK2HSD17B1HSD17B2KMT2A
SCHEMBL11116291 0.79 PDGFRB (0.44) MKNK1MKNK2PKMHSD17B1HSD17B2
SCHEMBL6027790 0.79 NPC1 (0.50) MKNK1MKNK2NPC1LMNAPKM
SCHEMBL14974895 0.78 TSHR (0.44) LMNADGAT1ALDH1A1
SCHEMBL11114687 0.78 ALDH1A1 (0.47) OXTRDGAT1ALDH1A1KDM4E
SCHEMBL1422182 0.77 HSD17B1 (0.67) MKNK1MKNK2NPC1LMNAPKM
SCHEMBL8096967 0.76 ACACB (0.42) ACACBACACALMNAKMT2AMEN1

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
EP-0123700-A1 Substituted picolinic acids, processes for their preparation, their use, and pharmaceutical preparations containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-11-07 EP disclosed