SCHEMBL8729346

SCHEMBL8729346

CCC(CO)(CO)CO.CCCCCCCCC=CCCCCCCCCOC(OC(OCCCCCCCCC=CCCCCCCCC)C(C)O)C(C)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
LPAR3 Q9UBY5 3/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR2 Q9HBW0 2/20 0.41
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 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
SCHEMBL9419210 1.00 ALDH1A1 (0.46) ALDH1A1CNR1CNR2LPAR3LPAR1
SCHEMBL8729344 0.91 ALDH1A1 (0.45) ALDH1A1CNR1CNR2LPAR3LPAR1
SCHEMBL2176257 0.79 ALDH1A1 (0.62) ALDH1A1CNR1CNR2
SCHEMBL14834026 0.79 ALDH1A1 (0.62) ALDH1A1CNR1CNR2
SCHEMBL2176259 0.79 ALDH1A1 (0.62) ALDH1A1CNR1CNR2
SCHEMBL8735248 0.78 ALDH1A1 (0.44) ALDH1A1CNR1CNR2LPAR3LPAR1
SCHEMBL8734262 0.78 ALDH1A1 (0.48) ALDH1A1CNR1CNR2LPAR3LPAR1
SCHEMBL8731534 0.76 ALDH1A1 (0.43) ALDH1A1CNR1CNR2LPAR3LPAR1
Glycerin SCHEMBL8729447 0.75 USP2 (0.51) ALDH1A1CNR1CNR2LPAR3LPAR1
SCHEMBL5415141 0.74 ALDH1A1 (0.54) ALDH1A1CNR1CNR2LPAR3LPAR1

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