SCHEMBL11613646

SCHEMBL11613646

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ GPR35 Q9HC97 6/20 0.38
▸ ABCB11 O95342 2/20 0.34
▸ SRC P12931 3/20 0.34
▸ CCR2 P41597 4/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HTT P42858 1/20 0.31

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
SCHEMBL11613651 1.00 KDM4E (0.46) KDM4EPOLBPKMGPR35ABCB11
SCHEMBL11613402 0.85 ALDH1A1 (0.42) KDM4EPOLBPKMHSD17B10
SCHEMBL11613405 0.85 ALDH1A1 (0.42) KDM4EPOLBPKMHSD17B10
SCHEMBL11617679 0.82 PKM (0.49) KDM4EPOLBPKMCCR2
SCHEMBL11617675 0.82 PKM (0.49) KDM4EPOLBPKMCCR2
SCHEMBL11615779 0.81 KDM4E (0.45) KDM4EPOLBPKMGPR35ABCB11
SCHEMBL11618317 0.81 POLB (0.49) KDM4EPOLBPKMABCB11SRC
SCHEMBL11613152 0.79 FABP4 (0.47) KDM4EPOLBPKMABCB11HSD17B10
SCHEMBL11616435 0.77 PKM (0.42) KDM4EPOLBPKMGPR35ABCB11
SCHEMBL11621960 0.76 POLB (0.42) KDM4EPOLBPKMGPR35ABCB11

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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