SCHEMBL8617396

SCHEMBL8617396

CCC(C)c1ccccc1OCc1ccccc1C(=NOC)C(=O)NC

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.45
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
HTT P42858 2/20 0.38
ATM Q13315 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL8617393 1.00 HIF1A (0.45) HIF1AKDM4EL3MBTL1ALDH1A1NISCH
SCHEMBL8400225 0.90 HIF1A (0.47) HIF1AL3MBTL1ALDH1A1HTTTP53
SCHEMBL8400229 0.90 HIF1A (0.47) HIF1AL3MBTL1ALDH1A1HTTTP53
SCHEMBL8619537 0.89 HIF1A (0.44) HIF1AKDM4EL3MBTL1ALDH1A1NISCH
SCHEMBL8619540 0.89 HIF1A (0.44) HIF1AKDM4EL3MBTL1ALDH1A1NISCH
SCHEMBL8617436 0.88 HIF1A (0.46) HIF1AKDM4EL3MBTL1ALDH1A1NISCH
SCHEMBL8617439 0.88 HIF1A (0.46) HIF1AKDM4EL3MBTL1ALDH1A1NISCH
SCHEMBL8396069 0.86 HIF1A (0.51) HIF1AKDM4EL3MBTL1ALDH1A1HTT
SCHEMBL8396065 0.86 HIF1A (0.51) HIF1AKDM4EL3MBTL1ALDH1A1HTT
SCHEMBL8371702 0.84 HIF1A (0.47) HIF1AKDM4EALDH1A1HTTTP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658541-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO (JP) 1998-05-20 EP disclosed
US-5510506-A Process for producing carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1996-04-23 US disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed