SCHEMBL8618337

SCHEMBL8618337

CON=C(C(=O)O)c1ccccc1COc1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.67
MCL1 Q07820 1/20 0.53
MRGPRX4 Q96LA9 2/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NR4A2 P43354 1/20 0.46
MAOB P27338 1/20 0.45
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGES O14684 1/20 0.43
DDR1 Q08345 1/20 0.43

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
SCHEMBL8618334 1.00 HIF1A (0.67) HIF1AMCL1MRGPRX4KDM4EALDH1A1
SCHEMBL8617317 0.90 HIF1A (0.66) HIF1AMCL1MRGPRX4KDM4ENR4A2
SCHEMBL8617320 0.90 HIF1A (0.66) HIF1AMCL1MRGPRX4KDM4ENR4A2
SCHEMBL8621920 0.89 HIF1A (0.55) HIF1AMCL1MRGPRX4KDM4EALDH1A1
SCHEMBL8621917 0.89 HIF1A (0.55) HIF1AMCL1MRGPRX4KDM4EALDH1A1
SCHEMBL6460031 0.89 HIF1A (0.67) HIF1AMCL1MRGPRX4KDM4EALDH1A1
SCHEMBL6460025 0.89 HIF1A (0.67) HIF1AMCL1MRGPRX4KDM4EALDH1A1
SCHEMBL8371507 0.89 HIF1A (0.67) HIF1AMCL1MRGPRX4KDM4EALDH1A1
SCHEMBL8396210 0.87 HIF1A (0.65) HIF1AMCL1MRGPRX4KDM4EMAOB
SCHEMBL8396217 0.87 HIF1A (0.65) HIF1AMCL1MRGPRX4KDM4EMAOB

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