SCHEMBL11619447

SCHEMBL11619447

O=C(O)COc1cc2c(=O)cc(C(=O)O)n(CC(=O)O)c2ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ PKM P14618 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ FDPS P14324 1/20 0.40
▸ GLA P06280 1/20 0.38
▸ PLA2G4A P47712 1/20 0.37
▸ APEX1 P27695 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL11615779 0.80 KDM4E (0.45) KDM4EPKMPOLBFDPSGLA
SCHEMBL11618545 0.80 KDM4E (0.61) KDM4EPKMPOLBALDH1A1MAPT
SCHEMBL11617342 0.79 POLB (0.44) KDM4EPKMPOLBALDH1A1MAPT
SCHEMBL11616083 0.76 POLB (0.43) KDM4EPKMPOLBMAPT
SCHEMBL11142693 0.74 KDM4E (0.48) KDM4EALDH1A1MAPTAPEX1TDP1
SCHEMBL11617679 0.74 PKM (0.49) KDM4EPKMPOLBALDH1A1MAPT
SCHEMBL11617675 0.74 PKM (0.49) KDM4EPKMPOLBALDH1A1MAPT
SCHEMBL11621641 0.74 POLB (0.44) KDM4EPKMPOLBALDH1A1MAPT
SCHEMBL11619090 0.72 POLB (0.43) KDM4EPKMPOLBALDH1A1
SCHEMBL11618317 0.68 POLB (0.49) KDM4EPKMPOLBALDH1A1MAPT

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