SCHEMBL23968127

SCHEMBL23968127

C=CCCCOc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 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
SCHEMBL23968129 0.96 KDM4E (0.37) KDM4EALDH1A1MAPK1
SCHEMBL12733654 0.96 KDM4E (0.38) KDM4EALDH1A1MAPK1
SCHEMBL30093781 0.95 KDM4E (0.34) KDM4EALDH1A1MAPK1
SCHEMBL12140874 0.95 KDM4E (0.34) KDM4EALDH1A1MAPK1
SCHEMBL13000254 0.92 KDM4E (0.33) KDM4E
SCHEMBL12733641 0.91 KDM4E (0.36) KDM4EALDH1A1MAPK1
SCHEMBL12740632 0.90 SCN9A (0.39) KDM4EALDH1A1MAPK1
SCHEMBL12735809 0.90 SCN9A (0.39) KDM4EALDH1A1MAPK1
SCHEMBL21451531 0.89 PTGDR2 (0.34) KDM4EALDH1A1
SCHEMBL13000129 0.89 KDM4E (0.34) KDM4EALDH1A1MAPK1

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
EP-3481916-B1 ELECTRONIC SWITCH MERCK PATENT GMBH (DE) 2021-11-03 EP disclosed