SCHEMBL2864012

SCHEMBL2864012

CCCCOC(COP(=O)(OCC(Cl)(Cl)Cl)OP(=O)(O)O)(OCCCC)OCCCC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
LPAR3 Q9UBY5 5/20 0.37
LPAR1 Q92633 3/20 0.37
LPAR2 Q9HBW0 3/20 0.37
TSHR P16473 1/20 0.33
SMPD1 P17405 1/20 0.30
FDPS P14324 1/20 0.30
S1PR4 O95977 2/20 0.30
S1PR1 P21453 2/20 0.30
S1PR3 Q99500 2/20 0.30
S1PR5 Q9H228 2/20 0.30
LPAR5 Q9H1C0 1/20 0.30

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
Triclofos SCHEMBL2864009 0.88 LPAR3 (0.44) CYP3A4LPAR3LPAR1LPAR2S1PR4
SCHEMBL9633564 0.86 LPAR3 (0.51) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14841935 0.81 LPAR3 (0.37) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL27986969 0.80 LPAR3 (0.42) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL37203 0.80 LPAR3 (0.52) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL31606640 0.79 CYP3A4 (0.58) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL27754463 0.79 FDPS (0.39) FDPS
Triclofos SCHEMBL2864015 0.75 LPAR3 (0.38) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL11862716 0.74 CYP3A4 (0.52) CYP3A4TSHR
SCHEMBL1408422 0.74 CYP3A4 (0.67) CYP3A4LPAR3LPAR1LPAR2TSHR

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
US-7767380-B2 Photopolymerization type photosensitive lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2010-08-03 US disclosed
US-20080076066-A1 PHOTOPOLYMERIZATION TYPE PHOTOSENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2008-03-27 US disclosed