SCHEMBL8620517

SCHEMBL8620517

CCC(=NOC)C(=O)Oc1ccccc1COc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.51
L3MBTL1 Q9Y468 1/20 0.45
MCL1 Q07820 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.43
MAOB P27338 1/20 0.42
PTGES O14684 1/20 0.41
BRD4 O60885 1/20 0.41
NR4A2 P43354 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 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
SCHEMBL8620524 0.91 HIF1A (0.48) HIF1AL3MBTL1MCL1MRGPRX4MAOB
SCHEMBL8622766 0.88 HIF1A (0.52) HIF1AL3MBTL1MCL1MRGPRX4MAOB
SCHEMBL8619527 0.85 HIF1A (0.45) HIF1AL3MBTL1MAOBNR4A2KDM4E
SCHEMBL8622048 0.77 TDP1 (0.41) L3MBTL1BRD4ALDH1A1
SCHEMBL8621962 0.75 PTGDR2 (0.44) L3MBTL1KDM4EALDH1A1
SCHEMBL8618334 0.75 HIF1A (0.67) HIF1AL3MBTL1MCL1MRGPRX4MAOB
SCHEMBL8618337 0.75 HIF1A (0.67) HIF1AL3MBTL1MCL1MRGPRX4MAOB
SCHEMBL8620586 0.75 FFAR1 (0.42) HIF1AL3MBTL1KDM4E
SCHEMBL8617320 0.74 HIF1A (0.66) HIF1AL3MBTL1MCL1MRGPRX4MAOB
SCHEMBL8617317 0.74 HIF1A (0.66) HIF1AL3MBTL1MCL1MRGPRX4MAOB

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