SCHEMBL3899262

SCHEMBL3899262

CCCOP(=O)(O)C(C)(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LPAR3 Q9UBY5 4/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR2 Q9HBW0 2/20 0.36
FDPS P14324 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
LPAR5 Q9H1C0 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
SCHEMBL787793 0.88 CYP3A4 (0.48) LPAR3LPAR1LPAR2FDPSALDH1A1
SCHEMBL814692 0.83 MEN1 (0.37) MEN1KMT2ALPAR3LPAR1LPAR2
SCHEMBL6579016 0.83 TSHR (0.40) ALDH1A1CYP3A4
SCHEMBL6840323 0.80 LPAR3 (0.40) MEN1KMT2ALPAR3LPAR1LPAR2
SCHEMBL5028888 0.79 FDPS (0.36) MEN1KMT2ALPAR3LPAR1LPAR2
SCHEMBL12806713 0.78 LPAR3 (0.39) MEN1KMT2ALPAR3LPAR1LPAR2
SCHEMBL16995440 0.75 LPAR3 (0.41) MEN1KMT2ALPAR3LPAR1LPAR2
SCHEMBL4267679 0.75 CYP3A4 (0.47) LPAR3LPAR1LPAR2ALDH1A1CYP3A4
SCHEMBL28395364 0.74 S1PR1 (0.33) MEN1KMT2ALPAR3LPAR1LPAR2
SCHEMBL2353395 0.73 CYP4F2 (0.35) MEN1KMT2ALPAR3LPAR1LPAR2

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-1554330-B1 PARTIALLY ESTER-EXCHANGED SIPM AND PROCESS THEREWITH INVISTA TECH SARL (CH) 2009-03-11 EP claimed
EP-1615934-B1 TITANIUM CHELATE DISPERSIONS DU PONT (US) 2007-06-27 EP claimed