SCHEMBL8620396

SCHEMBL8620396

CON=C(C(=O)O)c1ccccc1COc1c(C)cccc1C

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.54
PTGER4 P35408 2/20 0.42
PTGER3 P43115 2/20 0.42
PTGER2 P43116 2/20 0.42
PTGER1 P34995 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL8620394 1.00 HIF1A (0.54) HIF1APTGER4PTGER3PTGER2PTGER1
SCHEMBL8625223 0.89 HIF1A (0.52) HIF1APTGER4PTGER3PTGER2PTGER1
SCHEMBL8625219 0.89 HIF1A (0.52) HIF1APTGER4PTGER3PTGER2PTGER1
SCHEMBL435570 0.87 HIF1A (0.51) HIF1APTGDR2MAPTHTT
SCHEMBL435569 0.87 HIF1A (0.51) HIF1APTGDR2MAPTHTT
SCHEMBL6899784 0.87 HIF1A (0.51) HIF1APTGDR2MAPTHTT
SCHEMBL8372750 0.86 HIF1A (0.53) HIF1APTGER4PTGER3PTGER2PTGER1
SCHEMBL8372751 0.86 HIF1A (0.53) HIF1APTGER4PTGER3PTGER2PTGER1
SCHEMBL8398967 0.86 HIF1A (0.53) HIF1APTGER4PTGER3PTGER2PTGER1
SCHEMBL8622793 0.86 HIF1A (0.51) HIF1APTGDR2KMT2ALMNAMAPT

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