SCHEMBL11064004

SCHEMBL11064004

CCCCCCCCCCCCC(O[Ti](=O)O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.38
ACE2 Q9BYF1 1/20 0.38
PTPN1 P18031 1/20 0.37
GPR84 Q9NQS5 3/20 0.37
FDPS P14324 3/20 0.37
SPHK1 Q9NYA1 1/20 0.37
FFAR1 O14842 1/20 0.37
CA1 P00915 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36

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
SCHEMBL7132650 0.87 LMNA (0.33) LMNA
SCHEMBL15145074 0.81 FAAH (0.45) SMPD1ACE2GPR84FDPSSPHK1
SCHEMBL10926924 0.79 SMPD1 (0.41) SMPD1GPR84FDPSFFAR1ZDHHC7
SCHEMBL17457539 0.76 SMPD1 (0.39) SMPD1GPR84FDPSFFAR1ZDHHC7
SCHEMBL28522664 0.73 OPRM1 (0.44) SMPD1SPHK1LMNA
SCHEMBL8210975 0.73 OPRM1 (0.44) SMPD1SPHK1LMNA
SCHEMBL2851672 0.73 OPRM1 (0.44) SMPD1SPHK1LMNA
SCHEMBL3795495 0.73 OPRM1 (0.44) SMPD1SPHK1LMNA
SCHEMBL28693350 0.73 OPRM1 (0.44) SMPD1SPHK1LMNA
SCHEMBL1792139 0.73 FDPS (0.36) SMPD1GPR84FDPSFFAR1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4452937-A Ethylene polymer compositions stabilized against water treeing and electrical treeing by an organo titanium chelate; and the use thereof as insulation about electrical conductors UNION CARBIDE CORPORATION (US) 1984-06-05 US disclosed