SCHEMBL30555700

SCHEMBL30555700

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ NR5A2 O00482 1/20 0.68
▸ NR5A1 Q13285 1/20 0.68
▸ LPAR1 Q92633 7/20 0.66
▸ LPAR4 Q99677 3/20 0.66
▸ LPAR2 Q9HBW0 3/20 0.66
▸ LPAR3 Q9UBY5 3/20 0.66
▸ ENPP2 Q13822 2/20 0.66
▸ LPAR5 Q9H1C0 2/20 0.66
▸ CES2 O00748 1/20 0.66
▸ LPAR6 P43657 1/20 0.66
▸ TRPV1 Q8NER1 1/20 0.66
▸ MAPT P10636 1/20 0.66
▸ ALDH1A1 P00352 1/20 0.64
▸ MEN1 O00255 1/20 0.61
▸ S1PR1 P21453 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ P2RY10 O00398 4/20 0.57
▸ GPR174 Q9BXC1 4/20 0.57
▸ GPR34 Q9UPC5 3/20 0.57

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
SCHEMBL17626959 1.00 SMN1; SMN2 (0.68) SMN1; SMN2NR5A2NR5A1LPAR1LPAR4
SCHEMBL19821339 1.00 SMN1; SMN2 (0.68) SMN1; SMN2NR5A2NR5A1LPAR1LPAR4
SCHEMBL8994530 0.94 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1LPAR1LPAR4
SCHEMBL19065066 0.94 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1LPAR1LPAR4
SCHEMBL9560238 0.94 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1LPAR1LPAR4
SCHEMBL9015289 0.94 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1LPAR1LPAR4
SCHEMBL25336885 0.94 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1LPAR1LPAR4
SCHEMBL11131776 0.94 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1LPAR1LPAR4
Lysophosphatidylcholine SCHEMBL19787878 0.94 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1LPAR1LPAR4
SCHEMBL8530885 0.94 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1LPAR1LPAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116660543-A Diagnostic and prognostic markers for nonalcoholic fatty liver disease and uses thereof 中国人民解放军陆军军医大学第一附属医院 2023-08-29 — — CN claimed
Send feedback