SCHEMBL29540787

SCHEMBL29540787

CCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.74
NR5A2 O00482 1/20 0.74
NR5A1 Q13285 1/20 0.74
MAPT P10636 2/20 0.71
RECQL P46063 1/20 0.60
LPAR6 P43657 1/20 0.60
LPAR1 Q92633 1/20 0.60
LPAR4 Q99677 1/20 0.60
LPAR5 Q9H1C0 1/20 0.60
LPAR2 Q9HBW0 1/20 0.60
LPAR3 Q9UBY5 1/20 0.60
ENPP2 Q13822 1/20 0.60
PLA2G1B P04054 1/20 0.58
PLA2G2A P14555 1/20 0.58
FABP3 P05413 1/20 0.56
PLA2G10 O15496 1/20 0.56
LMNA P02545 2/20 0.56
ESR1 P03372 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CDC25A P30304 1/20 0.56

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
SCHEMBL26342254 0.99 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTRECQL
SCHEMBL26997212 0.99 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTRECQL
SCHEMBL31577414 0.99 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTRECQL
SCHEMBL31122371 0.99 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTRECQL
SCHEMBL11131776 0.99 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTRECQL
SCHEMBL8994530 0.99 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTRECQL
SCHEMBL9015289 0.99 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTRECQL
SCHEMBL19065066 0.99 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTRECQL
SCHEMBL9560238 0.99 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTRECQL
Lysophosphatidylcholine SCHEMBL19787878 0.99 SMN1; SMN2 (0.76) SMN1; SMN2NR5A2NR5A1MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11313866-B2 Method of diagnosing and treating asphyxia INFANDX AG (DE) 2022-04-26 US claimed
US-20250027938-A1 METABOLIC SIGNATURE FOR PREDICTION OF MUCOSAL INFLAMMATION AND MICROBIAL COMPOSITION IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2025-01-23 US disclosed
EP-4370919-A1 METABOLIC SIGNATURE FOR PREDICTION OF MUCOSAL INFLAMMATION AND MICROBIAL COMPOSITION Imperial College Innovations Limited (GB) 2024-05-22 EP disclosed
WO-2023285832-A1 METABOLIC SIGNATURE FOR PREDICTION OF MUCOSAL INFLAMMATION AND MICROBIAL COMPOSITION IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-01-19 WO disclosed
US-11313866-B2 Method of diagnosing and treating asphyxia INFANDX AG (DE) 2022-04-26 US disclosed