SCHEMBL8625219

SCHEMBL8625219

CO/N=C(/C(=O)Cl)c1ccccc1COc1c(C)cccc1C

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.52
PTGER4 P35408 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
PTGER1 P34995 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8625223 1.00 HIF1A (0.52) HIF1APTGER4PTGER3PTGER2PTGER1
SCHEMBL8620394 0.89 HIF1A (0.54) HIF1APTGER4PTGER3PTGER2PTGER1
SCHEMBL8620396 0.89 HIF1A (0.54) HIF1APTGER4PTGER3PTGER2PTGER1
SCHEMBL8372751 0.88 HIF1A (0.53) HIF1APTGER4PTGER3PTGER2PTGER1
SCHEMBL8372750 0.88 HIF1A (0.53) HIF1APTGER4PTGER3PTGER2PTGER1
SCHEMBL8398967 0.88 HIF1A (0.53) HIF1APTGER4PTGER3PTGER2PTGER1
SCHEMBL7664003 0.88 HIF1A (0.49) HIF1APTGDR2HTTTP53MAPT
SCHEMBL7664008 0.88 HIF1A (0.49) HIF1APTGDR2HTTTP53MAPT
SCHEMBL8618320 0.87 HIF1A (0.49) HIF1AKMT2AHTTTP53MAPT
SCHEMBL8618319 0.87 HIF1A (0.49) HIF1AKMT2AHTTTP53MAPT

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