SCHEMBL8624002

SCHEMBL8624002

CON=C(C(=O)O)c1ccccc1COc1ccccc1C(C)C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.40
FABP4 P15090 2/20 0.40
FABP5 Q01469 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FOLH1 Q04609 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
MRGPRX4 Q96LA9 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
SCHEMBL8623999 1.00 HIF1A (0.48) HIF1AL3MBTL1TP53HTTALDH1A1
SCHEMBL8617436 0.90 HIF1A (0.46) HIF1AL3MBTL1TP53HTTALDH1A1
SCHEMBL8617439 0.90 HIF1A (0.46) HIF1AL3MBTL1TP53HTTALDH1A1
SCHEMBL8624164 0.89 HIF1A (0.47) HIF1AL3MBTL1TP53HTTALDH1A1
SCHEMBL8624160 0.89 HIF1A (0.47) HIF1AL3MBTL1TP53HTTALDH1A1
SCHEMBL8400225 0.87 HIF1A (0.47) HIF1AL3MBTL1TP53HTTALDH1A1
SCHEMBL8400229 0.87 HIF1A (0.47) HIF1AL3MBTL1TP53HTTALDH1A1
SCHEMBL8519935 0.85 HIF1A (0.46) HIF1AL3MBTL1TP53HTTALDH1A1
SCHEMBL8519937 0.85 HIF1A (0.46) HIF1AL3MBTL1TP53HTTALDH1A1
SCHEMBL8622450 0.85 HIF1A (0.52) HIF1AL3MBTL1TP53HTTALDH1A1

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