SCHEMBL2801016

SCHEMBL2801016

CCCCOC(C)OP(=O)(O)OCC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.40
LPAR1 Q92633 5/20 0.40
CYP3A4 P08684 2/20 0.39
LPAR2 Q9HBW0 3/20 0.39
SMPD1 P17405 3/20 0.36
TSHR P16473 1/20 0.35
LPAR5 Q9H1C0 1/20 0.34

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
SCHEMBL2520483 0.89 LPAR3 (0.40) LPAR3LPAR1CYP3A4LPAR2SMPD1
SCHEMBL18423586 0.88 LMNA (0.38) LPAR3LPAR1CYP3A4LPAR2SMPD1
SCHEMBL11591189 0.83 LMNA (0.44) TSHR
SCHEMBL2523264 0.82 LPAR3 (0.50) LPAR3LPAR1LPAR2SMPD1LPAR5
SCHEMBL2521045 0.82 LPAR3 (0.50) LPAR3LPAR1LPAR2SMPD1LPAR5
SCHEMBL887887 0.82 SMPD1 (0.48) LPAR3LPAR1CYP3A4LPAR2SMPD1
Hydrochloric Acid SCHEMBL26928575 0.80 SMPD1 (0.47) LPAR3LPAR1CYP3A4LPAR2SMPD1
SCHEMBL22974808 0.78 LPAR3 (0.50) LPAR3LPAR1LPAR2SMPD1LPAR5
SCHEMBL37267 0.77 CYP3A4 (0.48) LPAR3LPAR1CYP3A4TSHR
SCHEMBL2522276 0.77 METAP1 (0.36) LPAR3LPAR1LPAR2SMPD1LPAR5

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-20100201939-A1 PLASTIC LENS AND METHOD OF MANUFACTURING THE SAME HOYA CORPORATION (JP) 2010-08-12 US disclosed
EP-2172792-A1 PLASTIC LENS AND METHOD OF MANUFACTURING THE SAME Hoya Corporation (JP) 2010-04-07 EP disclosed