Sugi Predict

Sugi Predict / Compounds / SCHEMBL8745035

SCHEMBL8745035

SCHEMBL8745035

CC(C)C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O.CCCCCCC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 7/20 0.37
▸ FDPS P14324 14/20 0.36
▸ SMPD1 P17405 3/20 0.35
▸ LPAR1 Q92633 1/20 0.35
▸ LPAR3 Q9UBY5 1/20 0.35
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33

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
SCHEMBL8529077 0.90 GGPS1 (0.45) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL8866988 0.85 FDPS (0.40) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL8528026 0.82 FOLH1 (0.40) FDPS
SCHEMBL8531359 0.76 FOLH1 (0.36) —
SCHEMBL8528293 0.75 FDPS (0.42) FDPSSMPD1
SCHEMBL8532196 0.75 FOLH1 (0.37) —
SCHEMBL9486308 0.74 GGPS1 (0.59) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL4267775 0.74 GGPS1 (0.59) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL8529495 0.73 FOLH1 (0.40) —
SCHEMBL9487614 0.73 GGPS1 (0.57) GGPS1FDPSSMPD1LPAR1LPAR3

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-0752999-A1 2,4-DIPHOSPHONOGLUTARIC ACID DERIVATIVES, METHODS OF PREPARING SUCH COMPOUNDS AND DRUGS CONTAINING THEM Roche Diagnostics GmbH (DE) 1997-01-15 — — EP disclosed
WO-1995026358-A1 2,4-DIPHOSPHONOGLUTARIC ACID DERIVATIVES, METHODS OF PREPARING SUCH COMPOUNDS AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1995-10-05 — — WO disclosed