SCHEMBL8723178

SCHEMBL8723178

CO/C=C(/C(=O)OC)c1ccccc1COc1cc(C(F)(F)F)cc(C)n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.44
OPRL1 P41146 1/20 0.42
POLQ O75417 1/20 0.41
GAA P10253 2/20 0.39
NR1H4 Q96RI1 1/20 0.38
MRGPRX4 Q96LA9 3/20 0.37
CYP3A4 P08684 1/20 0.36
CD38 P28907 1/20 0.36

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
SCHEMBL8723182 1.00 HIF1A (0.44) HIF1AOPRL1POLQGAANR1H4
SCHEMBL8723181 0.92 HIF1A (0.45) HIF1AOPRL1POLQGAANR1H4
SCHEMBL8726648 0.91 HIF1A (0.44) HIF1AOPRL1POLQGAANR1H4
SCHEMBL8726645 0.91 HIF1A (0.44) HIF1AOPRL1POLQGAANR1H4
SCHEMBL10020202 0.88 OPRL1 (0.38) HIF1AOPRL1CYP3A4CD38
SCHEMBL13328882 0.82 HIF1A (0.40) HIF1A
SCHEMBL8410776 0.82 HIF1A (0.40) HIF1A
SCHEMBL9256030 0.82 GABRA5 (0.39) HIF1A
SCHEMBL12671601 0.82 GABRA5 (0.39) HIF1A
Picoxystrobin SCHEMBL18977 0.81 HIF1A (0.39) HIF1AMRGPRX4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840726-A1 PROCESS FOR THE PREPARATION OF 2-(6-SUBSTITUTED PYRID-2-YLOXYMETHYL)PHENYLACETATE ZENECA LIMITED (GB) 1998-05-13 EP disclosed
WO-1997001538-A1 PROCESS FOR THE PREPARATION OF 2-(6-SUBSTITUTED PYRID-2-YLOXYMETHYL)PHENYLACETATE ZENECA LIMITED (GB) 1997-01-16 WO disclosed