SCHEMBL9015289

SCHEMBL9015289

CCCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.76
NR5A2 O00482 1/20 0.76
NR5A1 Q13285 1/20 0.76
MAPT P10636 2/20 0.73
LPAR6 P43657 1/20 0.62
LPAR1 Q92633 1/20 0.62
LPAR4 Q99677 1/20 0.62
LPAR5 Q9H1C0 1/20 0.62
LPAR2 Q9HBW0 1/20 0.62
LPAR3 Q9UBY5 1/20 0.62
ENPP2 Q13822 1/20 0.62
RECQL P46063 1/20 0.61
PLA2G1B P04054 1/20 0.60
PLA2G2A P14555 1/20 0.60
FABP3 P05413 1/20 0.58
PLA2G10 O15496 1/20 0.58
LMNA P02545 2/20 0.58
ESR1 P03372 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CDC25A P30304 1/20 0.58

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
SCHEMBL30652127 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTLPAR6
SCHEMBL29482586 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTLPAR6
Lysophosphatidylcholine SCHEMBL29651472 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTLPAR6
Lysophosphatidylcholine SCHEMBL19787878 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTLPAR6
SCHEMBL11131776 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTLPAR6
SCHEMBL31577414 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTLPAR6
SCHEMBL31122371 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTLPAR6
SCHEMBL9560238 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTLPAR6
SCHEMBL19065066 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTLPAR6
SCHEMBL30651187 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTLPAR6

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-0489839-B1 NOVEL HYDROLYTIC ENZYME INHIBITORS AND SUBSTRATES AND ASSAYS, METHODS AND KITS EMBODYING SAME UNIV CALIFORNIA (US) 1996-11-27 EP claimed
EP-0489839-B1 NOVEL HYDROLYTIC ENZYME INHIBITORS AND SUBSTRATES AND ASSAYS, METHODS AND KITS EMBODYING SAME UNIV CALIFORNIA (US) 1996-11-27 EP disclosed