SCHEMBL12315601

SCHEMBL12315601

CC1(C)C=Cc2cc(C(=O)CC(C[18F])c3ccc(C(C)(C)C)cc3)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ COXFA4 O00483 1/20 0.41
▸ HIF1A Q16665 13/20 0.35
▸ EPAS1 Q99814 9/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ BACE1 P56817 1/20 0.32

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
SCHEMBL12315466 0.81 COXFA4 (0.46) COXFA4HIF1AEPAS1ALDH1A1CYP3A4
SCHEMBL12315472 0.80 HIF1A (0.44) COXFA4HIF1AEPAS1ALDH1A1CYP3A4
SCHEMBL12315608 0.80 HIF1A (0.44) COXFA4HIF1AEPAS1ALDH1A1CYP3A4
SCHEMBL12315469 0.73 COXFA4 (0.66) COXFA4HIF1AEPAS1ALDH1A1TDP1
SCHEMBL12315465 0.73 HIF1A (0.35) HIF1AEPAS1ALDH1A1HPGD
SCHEMBL13071766 0.72 PTGS1 (0.40) COXFA4HIF1AALDH1A1ACHEBACE1
SCHEMBL12315468 0.72 PTGS1 (0.40) COXFA4HIF1AALDH1A1ACHEBACE1
SCHEMBL9581577 0.71 ALDH1A1 (0.43) COXFA4HIF1AEPAS1ALDH1A1CYP3A4
SCHEMBL7766618 0.69 COXFA4 (0.49) COXFA4HIF1AEPAS1ALDH1A1CYP3A4
SCHEMBL8066269 0.69 COXFA4 (0.53) COXFA4HIF1AEPAS1ALDH1A1CYP3A4

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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