SCHEMBL3974699

SCHEMBL3974699

CCCCC(CC)COP(O)(=S)SCC(CC)CCCC.CCCCCCCCSP(O)(O)=S

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LPAR3 Q9UBY5 11/20 0.33
LPAR2 Q9HBW0 9/20 0.33
LPAR1 Q92633 6/20 0.32
LPAR6 P43657 3/20 0.32
LPAR4 Q99677 3/20 0.32
LPAR5 Q9H1C0 3/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ALDH1A1 P00352 3/20 0.32
ENPP2 Q13822 2/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL1150112 0.89 CYP3A4 (0.51) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL1201274 0.88 CYP3A4 (0.50) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL3781027 0.88 CYP3A4 (0.50) CYP3A4L3MBTL1TSHRATMTDP1
Water SCHEMBL27627263 0.88 CYP3A4 (0.50) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL28790902 0.85 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL27082392 0.81 CYP3A4 (0.49) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL4446174 0.78 ALDH1A1 (0.47) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL9731952 0.78 CYP3A4 (0.47) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL15153014 0.76 ALDH1A1 (0.45) CYP3A4L3MBTL1TSHRATMTDP1
Phosphine SCHEMBL27074301 0.76 ALDH1A1 (0.45) CYP3A4L3MBTL1TSHRATMTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046926-A2 MULTI-DISPERSANT LUBRICATING COMPOSITION THE LUBRIZOL CORPORATION (US) 2009-04-15 EP disclosed
WO-2008115726-A2 ADDITIVE CONCENTRATE AND A METHOD OF LUBRICATING TRANSMISSIONS THE LUBRIZOL CORPORATION (US) 2008-09-25 WO disclosed
WO-2008014319-A2 MULTI-DISPERSANT LUBRICATING COMPOSITION THE LUBRIZOL CORPORATION (US) 2008-01-31 WO disclosed