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SCHEMBL5319503

SCHEMBL5319503

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ L3MBTL1 Q9Y468 5/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33

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
Zinc Ion SCHEMBL941185 0.96 ACHE (0.38) ALDH1A1CYP3A4ACHEL3MBTL1SMN1; SMN2
SCHEMBL10691752 0.82 ALDH1A1 (0.39) ALDH1A1CYP3A4ACHEL3MBTL1CA1
SCHEMBL258349 0.82 ACHE (0.41) ALDH1A1CYP3A4ACHEL3MBTL1SMN1; SMN2
SCHEMBL8467688 0.78 TP53 (0.40) ALDH1A1CYP3A4ACHEL3MBTL1SMN1; SMN2
SCHEMBL8023868 0.78 ACHE (0.39) ALDH1A1CYP3A4ACHEL3MBTL1SMN1; SMN2
SCHEMBL8467715 0.78 ACHE (0.39) ALDH1A1CYP3A4ACHEL3MBTL1SMN1; SMN2
SCHEMBL4388731 0.78 ACHE (0.39) ALDH1A1CYP3A4ACHEL3MBTL1SMN1; SMN2
SCHEMBL8469163 0.78 TP53 (0.40) ALDH1A1CYP3A4ACHEL3MBTL1SMN1; SMN2
SCHEMBL11662777 0.78 TSHR (0.41) ALDH1A1CYP3A4SMN1; SMN2HPGDTDP1
SCHEMBL9003233 0.76 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1570034-B1 UREA GREASE COMPOSITION SHELL INT RESEARCH (NL) 2016-02-17 — — EP disclosed
EP-1639063-B1 Use of a Grease Composition SHELL INT RESEARCH (NL) 2014-06-25 — — EP disclosed
US-20070203034-A1 LUBRICANT COMPOSITION SHELL OIL COMPANY 2007-08-30 — — US disclosed
WO-2007093632-A2 LUBRICANT COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2007-08-23 — — WO disclosed
EP-1639063-A1 GREASE COMPOSITION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2006-03-29 — — EP disclosed
EP-1570034-A1 UREA GREASE COMPOSITION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2005-09-07 — — EP disclosed
WO-2004113481-A1 GREASE COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2004-12-29 — — WO disclosed
US-20040224859-A1 low noise and high lubricity; mixture of diurea compounds and zinc or molybdenum dithiophosphates or dithiocarbonates; synergistic effects of such S-P type additives with the urea thickening agents SHELL OIL COMPANY 2004-11-11 — — US disclosed
WO-2004053032-A1 UREA GREASE COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2004-06-24 — — WO disclosed