SCHEMBL2149687

SCHEMBL2149687

CCCCC1(OP(=O)(O)OC2(CCCC)CCC2)CCC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.34
LPAR3 Q9UBY5 6/20 0.33
LPAR2 Q9HBW0 3/20 0.33
LPAR1 Q92633 2/20 0.33
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR5 Q9H228 2/20 0.32
FDPS P14324 2/20 0.31
S1PR4 O95977 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL2149661 0.95 SMPD1 (0.33) SMPD1LPAR3LPAR2LPAR1S1PR1
SCHEMBL2150533 0.89 SMPD1 (0.38) SMPD1LPAR3LPAR2LPAR1S1PR1
SCHEMBL2149789 0.85 TSHR (0.30)
SCHEMBL2150530 0.85 CYP3A4 (0.35)
SCHEMBL2150185 0.84 SMPD1 (0.37) SMPD1LPAR3LPAR2LPAR1S1PR1
SCHEMBL28389060 0.82 SMPD1 (0.33) SMPD1LPAR3LPAR2LPAR1S1PR1
SCHEMBL28395278 0.81 SMN1; SMN2 (0.32) SMPD1LPAR3LPAR2LPAR1MEN1
SCHEMBL2150264 0.80
SCHEMBL2150182 0.79 CYP3A4 (0.34) MEN1KMT2A
SCHEMBL11030099 0.77 SMPD1 (0.42) SMPD1LPAR3LPAR2LPAR1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341091-B1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD FOR PREPARING THE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2013-12-04 EP disclosed
US-8434866-B2 Polymerizable composition for optical material, optical material, and method for preparing the optical material MITSUI CHEMICALS, INC. (JP) 2013-05-07 US disclosed
EP-2341091-A1 POLYMERIZABLE COMPOUND FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND OPTICAL MATERIAL MANUFACTURING METHOD Mitsui Chemicals, Inc. (JP) 2011-07-06 EP disclosed
US-20100075154-A1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD FOR PREPARING THE OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2010-03-25 US disclosed