SCHEMBL8735235

SCHEMBL8735235

CCCCCCCCCCCCOC(OCCOC(OCCCCCCCCCCCC)C(C)O)C(C)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.45
USP2 O75604 1/20 0.42
LPAR3 Q9UBY5 5/20 0.42
LPAR1 Q92633 4/20 0.42
LPAR2 Q9HBW0 2/20 0.42
SPHK1 Q9NYA1 1/20 0.42
HTT P42858 2/20 0.41
LPAR5 Q9H1C0 1/20 0.40
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL3147596 0.98 DNM1 (0.47) DNM1USP2LPAR3LPAR1LPAR2
SCHEMBL9546960 0.98 DNM1 (0.47) DNM1USP2LPAR3LPAR1LPAR2
SCHEMBL28329768 0.98 DNM1 (0.47) DNM1USP2LPAR3LPAR1LPAR2
SCHEMBL4312227 0.98 DNM1 (0.47) DNM1USP2LPAR3LPAR1LPAR2
SCHEMBL30535779 0.98 DNM1 (0.47) DNM1USP2LPAR3LPAR1LPAR2
SCHEMBL10956724 0.89 CYP3A4 (0.38) DNM1USP2LPAR3LPAR1SPHK1
SCHEMBL28027780 0.88 DNM1 (0.42) DNM1USP2LPAR3LPAR1LPAR2
SCHEMBL6141538 0.85 DNM1 (0.39) DNM1USP2LPAR3LPAR1LPAR2
SCHEMBL7134973 0.85 DNM1 (0.39) DNM1USP2LPAR3LPAR1LPAR2
SCHEMBL2949936 0.83 CYP3A4 (0.36) DNM1LPAR3LPAR1SPHK1THRB

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
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