SCHEMBL12315595

SCHEMBL12315595

COc1cc(CSc2ccc3c(c2)C=CC(C)(C[18F])O3)cc(C)c1OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ COXFA4 O00483 1/20 0.40
▸ HIF1A Q16665 12/20 0.36
▸ EPAS1 Q99814 9/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ ODC1 P11926 1/20 0.34
▸ HSP90AA1 P07900 3/20 0.34
▸ GALR3 O60755 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ EDNRB P24530 1/20 0.31
▸ EDNRA P25101 1/20 0.31
▸ EP300 Q09472 1/20 0.31

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
SCHEMBL14666102 0.90 HIF1A (0.39) COXFA4HIF1AEPAS1PTGS1PTGS2
SCHEMBL12315598 0.88 COXFA4 (0.52) COXFA4HIF1AEPAS1ODC1HSP90AA1
SCHEMBL13535471 0.81 COXFA4 (0.58) COXFA4HIF1AEPAS1ODC1HSP90AA1
SCHEMBL12315606 0.79 COXFA4 (0.52) COXFA4HIF1AHSP90AA1LMNAHTT
SCHEMBL14098883 0.77 HIF1A (0.51) COXFA4HIF1AEPAS1HSP90AA1EP300
SCHEMBL12315464 0.75 PTGS1 (0.39) HIF1AEPAS1PTGS1PTGS2XDH
SCHEMBL12315596 0.70 COXFA4 (0.43) COXFA4HIF1AEPAS1ODC1HSP90AA1
SCHEMBL14666129 0.68 COXFA4 (0.48) COXFA4HIF1AEPAS1PTGS1PTGS2
SCHEMBL9475096 0.68 HIF1A (0.52) COXFA4HIF1AEPAS1EP300
SCHEMBL12315461 0.65 COXFA4 (0.62) COXFA4HIF1AEPAS1ODC1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263042-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2012-09-11 — — US disclosed
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