SCHEMBL2316892

SCHEMBL2316892

COc1cccc2occ(COc3cccc4[nH]c(OC(=O)NC5CCC(O)(CCN6CC[C@H](O)[C@@H](C)C6)CC5)cc34)c12

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL4396334 0.93 KDM4E (0.35) KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL2320213 0.91 HTR1A (0.32) KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL2315170 0.90 MAOB (0.37) KDM4EALDH1A1KMT2A
SCHEMBL14135216 0.90 KMT2A (0.38) KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL12432834 0.90 KMT2A (0.38) KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL2316234 0.90 KMT2A (0.38) KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL2315691 0.90
SCHEMBL2316977 0.90 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL2313970 0.89 KCNH2 (0.31)
SCHEMBL2316454 0.87 LTA4H (0.33) KDM4EALDH1A1HSD17B10KMT2A

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-2125782-B1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2011-08-03 EP claimed