Sugi Predict

Sugi Predict / Compounds / SCHEMBL11759766

SCHEMBL11759766

SCHEMBL11759766

CCCCCCCCC(CCCCCCCC)(c1cc2cc(C(CCCCCCCC)(CCCCCCCC)P(=O)(O)O)c(C(CCCCCCCC)(CCCCCCCC)P(=O)(O)O)cc2cc1C(CCCCCCCC)(CCCCCCCC)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 8/20 0.52
▸ FDPS P14324 12/20 0.50
▸ SMPD1 P17405 5/20 0.49
▸ LPAR1 Q92633 1/20 0.49
▸ LPAR3 Q9UBY5 1/20 0.49

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
SCHEMBL11757896 0.93 GGPS1 (0.55) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL11763191 0.85 FDPS (0.48) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL16191369 0.81 GGPS1 (0.42) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL11763484 0.79 GGPS1 (0.47) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL11764166 0.79 GGPS1 (0.47) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL11761874 0.77 PTPN1 (0.36) FDPS
SCHEMBL11764065 0.77 FDPS (0.46) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL28418733 0.77 GGPS1 (0.49) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL11762352 0.76 GGPS1 (0.47) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL5413422 0.75 NR5A2 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4061681-A Method for the preparation of mono- or poly [dialkyl or dicycloalkylphosphonylmethyl] aromatic carbocyclic compounds AMERICAN CYANAMID COMPANY (US) 1977-12-06 — — US disclosed
Send feedback