SCHEMBL5692944

SCHEMBL5692944

CCCCC(CC)C(CCCC)OP(=O)(OC(CCCC)C(CC)CCCC)OC(CCCC)C(CC)CCCC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FDPS P14324 3/20 0.38
SMPD1 P17405 3/20 0.36
PTPN1 P18031 1/20 0.36
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.32
MAPK1 P28482 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
SCHEMBL9444627 0.92 SMPD1 (0.46) CYP3A4L3MBTL1FDPSSMPD1PTPN1
SCHEMBL5692946 0.85 PTPN1 (0.51) CYP3A4L3MBTL1FDPSSMPD1PTPN1
SCHEMBL3806303 0.84 CYP3A4 (0.50) CYP3A4L3MBTL1FDPSSMPD1CA2
SCHEMBL4178393 0.83 PTPN1 (0.50) CYP3A4L3MBTL1FDPSSMPD1PTPN1
SCHEMBL215423 0.83 CYP3A4 (0.37) CYP3A4L3MBTL1FDPSSMPD1PTPN1
SCHEMBL25175095 0.83 CYP3A4 (0.37) CYP3A4L3MBTL1FDPSSMPD1PTPN1
SCHEMBL6908494 0.83 CYP3A4 (0.37) CYP3A4L3MBTL1FDPSSMPD1PTPN1
SCHEMBL7195333 0.83 CYP3A4 (0.37) CYP3A4L3MBTL1FDPSSMPD1PTPN1
SCHEMBL672785 0.83 CYP3A4 (0.37) CYP3A4L3MBTL1FDPSSMPD1PTPN1
SCHEMBL29198794 0.81 TSHR (0.43) CYP3A4L3MBTL1FDPSSMPD1PTPN1

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-1656589-A2 PRECURSOR PASTE AND METHOD OF PRODUCING THE SAME 3M Innovative Properties Company (US) 2006-05-17 EP disclosed
WO-2005019934-A2 PRECURSOR PASTE AND METHOD OF PRODUCING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-03 WO disclosed