SCHEMBL11617342

SCHEMBL11617342

O=C(O)CCOc1cc2c(=O)cc(C(=O)O)n(CCC(=O)O)c2ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ PKM P14618 1/20 0.44
▸ MCL1 Q07820 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FABP4 P15090 2/20 0.40
▸ FABP3 P05413 1/20 0.40
▸ FABP5 Q01469 1/20 0.40
▸ MAPT P10636 1/20 0.36
▸ KMO O15229 4/20 0.36
▸ LMNA P02545 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ WEE1 P30291 1/20 0.35
▸ PLA2G2A P14555 1/20 0.34
▸ APEX1 P27695 2/20 0.33
▸ PLA2G4A P47712 1/20 0.33

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
SCHEMBL11618317 0.81 POLB (0.49) POLBKDM4EPKMHSD17B10L3MBTL1
SCHEMBL11621641 0.81 POLB (0.44) POLBKDM4EPKMMCL1MAPT
SCHEMBL11619447 0.79 KDM4E (0.46) POLBKDM4EPKMMAPTALDH1A1
SCHEMBL11619090 0.79 POLB (0.43) POLBKDM4EPKMMCL1ALDH1A1
SCHEMBL11618545 0.77 KDM4E (0.61) POLBKDM4EPKMHSD17B10MAPT
SCHEMBL11613152 0.74 FABP4 (0.47) POLBKDM4EPKMMCL1HSD17B10
SCHEMBL11617679 0.74 PKM (0.49) POLBKDM4EPKMMCL1MAPT
SCHEMBL11617675 0.74 PKM (0.49) POLBKDM4EPKMMCL1MAPT
SCHEMBL11617074 0.71 ALDH1A1 (0.47) POLBKDM4EPKMHSD17B10MAPT
SCHEMBL11615779 0.69 KDM4E (0.45) POLBKDM4EPKML3MBTL1APEX1

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-4130649-A Cyclohepta [B]pyridine-2-carboxylic acid derivatives AYERST, MCKENNA & HARRISON LIMITED (CA) 1978-12-19 — — US disclosed
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