SCHEMBL11615457

SCHEMBL11615457

CCOC(=O)C=CCOc1cc2c(=O)cc(C(=O)OCC)n(CC=CC(=O)OCC)c2ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.38
▸ POLB P06746 3/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.32
▸ NOD1 Q9Y239 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL11615455 1.00 RAB9A (0.41) RAB9AKDM4EPOLBPKMALDH1A1
SCHEMBL11617163 0.88 KDM4E (0.39) RAB9AKDM4EPOLBPKMALDH1A1
SCHEMBL11617162 0.88 KDM4E (0.39) RAB9AKDM4EPOLBPKMALDH1A1
SCHEMBL11618414 0.82 KDM4E (0.36) KDM4EPOLBPKMALDH1A1SMN1; SMN2
SCHEMBL11618410 0.82 KDM4E (0.36) KDM4EPOLBPKMALDH1A1SMN1; SMN2
SCHEMBL11614223 0.79 KDM4E (0.47) RAB9AKDM4EPOLBPKMALDH1A1
SCHEMBL11619320 0.77 KDM4E (0.46) RAB9AKDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL11619326 0.77 KDM4E (0.46) RAB9AKDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL11617675 0.75 PKM (0.49) KDM4EPOLBPKMALDH1A1
SCHEMBL11617679 0.75 PKM (0.49) KDM4EPOLBPKMALDH1A1

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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