SCHEMBL11617162

SCHEMBL11617162

C/C=C/COc1cc2c(=O)cc(C(=O)OCC)n(C/C=C/C)c2ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.39
▸ POLB P06746 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 3/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ NOD1 Q9Y239 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
SCHEMBL11617163 1.00 KDM4E (0.39) KDM4EPOLBPKMALDH1A1SMN1; SMN2
SCHEMBL11615455 0.88 RAB9A (0.41) KDM4EPOLBPKMALDH1A1SMN1; SMN2
SCHEMBL11615457 0.88 RAB9A (0.41) KDM4EPOLBPKMALDH1A1SMN1; SMN2
SCHEMBL11617675 0.87 PKM (0.49) KDM4EPOLBPKMALDH1A1
SCHEMBL11617679 0.87 PKM (0.49) KDM4EPOLBPKMALDH1A1
SCHEMBL11613405 0.85 ALDH1A1 (0.42) KDM4EPOLBPKMALDH1A1SMN1; SMN2
SCHEMBL11613402 0.85 ALDH1A1 (0.42) KDM4EPOLBPKMALDH1A1SMN1; SMN2
SCHEMBL11618410 0.84 KDM4E (0.36) KDM4EPOLBPKMALDH1A1SMN1; SMN2
SCHEMBL11618414 0.84 KDM4E (0.36) KDM4EPOLBPKMALDH1A1SMN1; SMN2
SCHEMBL11614223 0.80 KDM4E (0.47) KDM4EPOLBPKMALDH1A1SMN1; SMN2

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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