SCHEMBL10691752

SCHEMBL10691752

Cc1ccc(OP([O-])(=S)Oc2ccc(C)cc2C)c(C)c1.Cc1ccc(OP([O-])(=S)Oc2ccc(C)cc2C)c(C)c1.Cc1ccc(OP([O-])(=S)Oc2ccc(C)cc2C)c(C)c1.Cc1ccc(OP([O-])(=S)Oc2ccc(C)cc2C)c(C)c1.Cc1ccc(OP([O-])(=S)Oc2ccc(C)cc2C)c(C)c1.Cc1ccc(OP([O-])(=S)Oc2ccc(C)cc2C)c(C)c1.[Mo+6]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
ACHE P22303 1/20 0.39
L3MBTL1 Q9Y468 5/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 3/20 0.36
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
S1PR4 O95977 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL258349 0.83 ACHE (0.41) ALDH1A1CYP3A4ACHEL3MBTL1SMN1; SMN2
SCHEMBL5319503 0.82 ALDH1A1 (0.38) ALDH1A1CYP3A4ACHEL3MBTL1CA1
SCHEMBL8467688 0.80 TP53 (0.40) ALDH1A1CYP3A4ACHEL3MBTL1SMN1; SMN2
SCHEMBL8023868 0.80 ACHE (0.39) ALDH1A1CYP3A4ACHEL3MBTL1SMN1; SMN2
SCHEMBL8469163 0.80 TP53 (0.40) ALDH1A1CYP3A4ACHEL3MBTL1SMN1; SMN2
SCHEMBL4388731 0.80 ACHE (0.39) ALDH1A1CYP3A4ACHEL3MBTL1SMN1; SMN2
SCHEMBL8467715 0.80 ACHE (0.39) ALDH1A1CYP3A4ACHEL3MBTL1SMN1; SMN2
Zinc Ion SCHEMBL941185 0.78 ACHE (0.38) ALDH1A1CYP3A4ACHEL3MBTL1SMN1; SMN2
SCHEMBL8467883 0.77 L3MBTL1 (0.38) ALDH1A1CYP3A4ACHEL3MBTL1SMN1; SMN2
SCHEMBL9003233 0.77 L3MBTL1 (0.38) CYP3A4ACHEL3MBTL1SMN1; SMN2HPGD

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