SCHEMBL11615779

SCHEMBL11615779

O=C(O)Cn1c(C(=O)O)cc(=O)c2cc(O)c(=O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ GLA P06280 1/20 0.43
▸ FDPS P14324 1/20 0.41
▸ GPR35 Q9HC97 4/20 0.41
▸ APEX1 P27695 1/20 0.39
▸ ABCB11 O95342 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36

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 0.87 POLB (0.49) KDM4EPOLBPKMAPEX1ABCB11
SCHEMBL11613152 0.85 FABP4 (0.47) KDM4EPOLBPKMABCB11L3MBTL1
SCHEMBL11616435 0.83 PKM (0.42) KDM4EPOLBPKMGLAGPR35
SCHEMBL11613651 0.81 KDM4E (0.46) KDM4EPOLBPKMGPR35ABCB11
SCHEMBL11613646 0.81 KDM4E (0.46) KDM4EPOLBPKMGPR35ABCB11
SCHEMBL11619447 0.80 KDM4E (0.46) KDM4EPOLBPKMGLAFDPS
SCHEMBL11621960 0.79 POLB (0.42) KDM4EPOLBPKMGPR35ABCB11
SCHEMBL11617064 0.79 GPR35 (0.49) KDM4EPOLBPKMGLAGPR35
SCHEMBL11614682 0.74 TSHR (0.54) KDM4EPOLBL3MBTL1
SCHEMBL11621562 0.71 ALDH1A1 (0.48) KDM4EPOLBPKM

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 claimed
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