SCHEMBL8622267

SCHEMBL8622267

CCC(C)c1ccccc1OCc1ccccc1OC(=O)C(C)=NOC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.41
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.36
FABP4 P15090 2/20 0.36
FABP5 Q01469 2/20 0.36
TSHR P16473 1/20 0.35
HIF1A Q16665 4/20 0.34
FFAR4 Q5NUL3 1/20 0.33
CDK4 P11802 1/20 0.32
CCND1 P24385 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
SCHEMBL8618631 0.90 L3MBTL1 (0.40) NISCHL3MBTL1ALDH1A1LMNAFABP4
SCHEMBL8622457 0.85 L3MBTL1 (0.40) NISCHKDM4EL3MBTL1ATMTSHR
SCHEMBL8620420 0.82 HIF1A (0.44) KDM4EALDH1A1LMNAATMHIF1A
SCHEMBL8622276 0.81 PPARD (0.43) NISCHHIF1A
SCHEMBL8617222 0.81 CDK4 (0.44) L3MBTL1ALDH1A1FFAR4CDK4CCND1
SCHEMBL8623908 0.80 HIF1A (0.46) KDM4EL3MBTL1HIF1A
SCHEMBL8622477 0.78 L3MBTL1 (0.46) L3MBTL1ALDH1A1LMNATSHRHIF1A
SCHEMBL8617436 0.78 HIF1A (0.46) NISCHKDM4EL3MBTL1ALDH1A1HTT
SCHEMBL8617439 0.78 HIF1A (0.46) NISCHKDM4EL3MBTL1ALDH1A1HTT
SCHEMBL8619537 0.77 HIF1A (0.44) NISCHKDM4EL3MBTL1ALDH1A1HTT

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