Sugi Predict

Sugi Predict / Compounds / SCHEMBL10690873

SCHEMBL10690873

SCHEMBL10690873

S=P([S-])(OC1CCCCC1)OC1CCCCC1.S=P([S-])(OC1CCCCC1)OC1CCCCC1.S=P([S-])(OC1CCCCC1)OC1CCCCC1.S=P([S-])(OC1CCCCC1)OC1CCCCC1.S=P([S-])(OC1CCCCC1)OC1CCCCC1.S=P([S-])(OC1CCCCC1)OC1CCCCC1.[Mo+6]

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.39
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ GLA P06280 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
SCHEMBL11141847 0.95 ACHE (0.39) ACHECA1CA2CA12CA9
SCHEMBL11002409 0.95 ACHE (0.39) ACHECA1CA2CA12CA9
SCHEMBL11145584 0.95 ACHE (0.39) ACHECA1CA2CA12CA9
SCHEMBL4461611 0.95 ACHE (0.39) ACHECA1CA2CA12CA9
SCHEMBL5163998 0.95 ACHE (0.39) ACHECA1CA2CA12CA9
SCHEMBL4462925 0.95 ACHE (0.39) ACHECA1CA2CA12CA9
Zinc Ion SCHEMBL766513 0.95 ACHE (0.39) ACHECA1CA2CA12CA9
Potassium Ion SCHEMBL11008887 0.95 CA1 (0.43) ACHECA1CA2CA12CA9
SCHEMBL454843 0.95 ACHE (0.39) ACHECA1CA2CA12CA9
SCHEMBL11825421 0.95 ACHE (0.39) ACHECA1CA2CA12CA9

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-0279090-A1 Gasoline compositions containing hexavalent molybdenum AMOCO CORPORATION (US) 1988-08-24 — — EP disclosed
US-4647293-A Gasoline compositions containing hexavalent molybdenum Magidson, William H. (US) 1987-03-03 — — US disclosed