SCHEMBL8729442

SCHEMBL8729442

CCCCCCCCOC(OCC(CO)OC(OCCCCCCCC)C(C)O)C(C)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
CNR2 P34972 5/20 0.41
CNR1 P21554 4/20 0.41
ALDH1A1 P00352 1/20 0.41
LPAR1 Q92633 6/20 0.39
LPAR3 Q9UBY5 6/20 0.39
DNM1 Q05193 1/20 0.38
LPAR2 Q9HBW0 3/20 0.37
LPAR6 P43657 2/20 0.37
LPAR4 Q99677 2/20 0.37
LPAR5 Q9H1C0 2/20 0.37
SPHK1 Q9NYA1 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
SCHEMBL8734262 0.84 ALDH1A1 (0.48) CNR2CNR1ALDH1A1LPAR1LPAR3
SCHEMBL9546960 0.82 DNM1 (0.47) USP2LPAR1LPAR3DNM1LPAR2
SCHEMBL30535779 0.82 DNM1 (0.47) USP2LPAR1LPAR3DNM1LPAR2
SCHEMBL3147596 0.82 DNM1 (0.47) USP2LPAR1LPAR3DNM1LPAR2
SCHEMBL4312227 0.82 DNM1 (0.47) USP2LPAR1LPAR3DNM1LPAR2
SCHEMBL28329768 0.82 DNM1 (0.47) USP2LPAR1LPAR3DNM1LPAR2
Glycerin SCHEMBL8729447 0.81 USP2 (0.51) USP2CNR2CNR1ALDH1A1LPAR1
SCHEMBL8735235 0.80 DNM1 (0.45) USP2LPAR1LPAR3DNM1LPAR2
SCHEMBL1821293 0.76 USP2 (0.38) USP2CNR2CNR1ALDH1A1LPAR1
SCHEMBL8735248 0.75 ALDH1A1 (0.44) CNR2CNR1ALDH1A1LPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614918-B1 Polymerizable compositions and in-mold cured products using same TAKEMOTO OIL & FAT CO LTD (JP) 1998-10-21 EP disclosed
EP-0614918-A1 Polymerizable compositions and in-mold cured products using same Takemoto Yushi Kabushiki Kaisha (JP) 1994-09-14 EP disclosed
US-5331041-A Unsaturated esters containing carbamate groups TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 1994-07-19 US disclosed