SCHEMBL8620577

SCHEMBL8620577

CON=C(C)C(=O)Oc1ccccc1COc1ccc(F)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.47
PARP14 Q460N5 1/20 0.47
HIF1A Q16665 6/20 0.43
PARP15 Q460N3 1/20 0.42
MAOB P27338 5/20 0.40
MAOA P21397 2/20 0.40
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SCN9A Q15858 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8617305 0.86 ALDH1A1 (0.52) PARP10PARP14HIF1AMAOBMAOA
SCHEMBL8621226 0.83 L3MBTL1 (0.46) PARP10PARP14HIF1AMAOBMAPT
SCHEMBL8623908 0.82 HIF1A (0.46) PARP10PARP14HIF1AMAOBMAOA
SCHEMBL8618547 0.82 MRGPRX4 (0.54) MAPT
SCHEMBL8621428 0.81 MAPT (0.45) PARP10PARP14HIF1AMAOBMAOA
SCHEMBL8621319 0.81 HIF1A (0.48) PARP10PARP14HIF1AMAOBMAPT
SCHEMBL8620428 0.80 HIF1A (0.42) PARP10PARP14HIF1AMAOBMAPT
SCHEMBL8622766 0.79 HIF1A (0.52) HIF1AMAOBMAPTL3MBTL1
SCHEMBL8617384 0.79 MRGPRX4 (0.45) MAPTNPC1L3MBTL1
SCHEMBL8622051 0.79 ANO1 (0.50) HIF1AMAPT

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