SCHEMBL8622797

SCHEMBL8622797

CON=C(C(=O)O)c1ccccc1COc1cccc(C)c1C

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.51
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
FOLH1 Q04609 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8622793 1.00 HIF1A (0.51) HIF1AL3MBTL1MAPK1TDP1RAB9A
SCHEMBL435569 0.91 HIF1A (0.51) HIF1ATDP1MAPTTP53HTT
SCHEMBL435570 0.91 HIF1A (0.51) HIF1ATDP1MAPTTP53HTT
SCHEMBL6899784 0.91 HIF1A (0.51) HIF1ATDP1MAPTTP53HTT
SCHEMBL8618320 0.89 HIF1A (0.49) HIF1AL3MBTL1MAPK1TDP1RAB9A
SCHEMBL8618319 0.89 HIF1A (0.49) HIF1AL3MBTL1MAPK1TDP1RAB9A
SCHEMBL8398840 0.87 HIF1A (0.50) HIF1AL3MBTL1MAPK1TDP1RAB9A
SCHEMBL8369928 0.87 HIF1A (0.50) HIF1AL3MBTL1MAPK1TDP1RAB9A
SCHEMBL8369929 0.87 HIF1A (0.50) HIF1AL3MBTL1MAPK1TDP1RAB9A
SCHEMBL8620396 0.86 HIF1A (0.54) HIF1AL3MBTL1MAPTLMNAHTT

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