SCHEMBL23001089

SCHEMBL23001089

C[N+](C)(C)CC(O)(CCCCCCCCCCCCCCCCCCCCC(O)(C[N+](C)(C)C)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 14/20 0.45
GGPS1 O95749 7/20 0.45
SMPD1 P17405 3/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
BBOX1 O75936 1/20 0.35

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
SCHEMBL23001100 1.00 FDPS (0.45) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL632447 0.92 FDPS (0.58) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL7188409 0.92 FDPS (0.58) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL2695072 0.92 FDPS (0.58) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL905578 0.92 FDPS (0.58) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL1044717 0.92 FDPS (0.58) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL62052 0.92 FDPS (0.58) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL418810 0.92 FDPS (0.58) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL2693656 0.92 FDPS (0.58) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL4638947 0.92 FDPS (0.58) FDPSGGPS1SMPD1LPAR1LPAR3

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
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed