SCHEMBL8624082

SCHEMBL8624082

CO/N=C(/C(=O)Cl)c1ccccc1COc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.62
CAPN1 P07384 1/20 0.42
NR4A2 P43354 2/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK10 P53779 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL8624085 1.00 HIF1A (0.62) HIF1ACAPN1NR4A2TP53HTT
SCHEMBL8623305 0.89 HIF1A (0.65) HIF1ACAPN1NR4A2TP53HTT
SCHEMBL8623308 0.89 HIF1A (0.65) HIF1ACAPN1NR4A2TP53HTT
SCHEMBL8621212 0.88 HIF1A (0.64) HIF1ANR4A2SMN1; SMN2NPC1RAB9A
SCHEMBL8621214 0.88 HIF1A (0.64) HIF1ANR4A2SMN1; SMN2NPC1RAB9A
SCHEMBL13772688 0.88 HIF1A (0.63) HIF1ACAPN1KDM4ESMN1; SMN2PTPRC
SCHEMBL8618297 0.87 HIF1A (0.57) HIF1ATP53HTTKDM4ESMN1; SMN2
SCHEMBL8618301 0.87 HIF1A (0.57) HIF1ATP53HTTKDM4ESMN1; SMN2
SCHEMBL8369852 0.87 HIF1A (0.63) HIF1ACAPN1KDM4ESMN1; SMN2PTPRC
SCHEMBL8369854 0.87 HIF1A (0.63) HIF1ACAPN1KDM4ESMN1; SMN2PTPRC

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