SCHEMBL3487839

SCHEMBL3487839

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nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ MME P08473 4/20 0.43
▸ ACE P12821 1/20 0.43
▸ CPA1 P15085 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ VNN1 O95497 7/20 0.41
▸ LTA4H P09960 2/20 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
SCHEMBL3487840 1.00 PTGS1 (0.50) PTGS1KCNH2MMEACECPA1
SCHEMBL5719421 1.00 PTGS1 (0.50) PTGS1KCNH2MMEACECPA1
SCHEMBL5015722 1.00 PTGS1 (0.50) PTGS1KCNH2MMEACECPA1
SCHEMBL5015724 1.00 PTGS1 (0.50) PTGS1KCNH2MMEACECPA1
SCHEMBL9691448 0.82 PTGS1 (0.55) PTGS1KCNH2VNN1
SCHEMBL29074106 0.82 PTGS1 (0.47) PTGS1KCNH2VNN1
SCHEMBL29074109 0.80 PTGS1 (0.45) PTGS1KCNH2VNN1
SCHEMBL29074105 0.80 METAP2 (0.51) PTGS1KCNH2VNN1
SCHEMBL29074107 0.80 METAP2 (0.51) PTGS1KCNH2VNN1
SCHEMBL7595113 0.79 PTGS1 (0.47) PTGS1KCNH2VNN1

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-20100005541-A1 KETOLASES FOR THE PRODUCTION OF KETOCAROTENOIDS IN TAGETES BASF PLANT SCIENCE GMBH (DE) 2010-01-07 — — US disclosed
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