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Sugi Predict / Compounds / SCHEMBL11763191

SCHEMBL11763191

SCHEMBL11763191

CCCCC(CCCC)(c1cc(C(CCCC)(CCCC)P(=O)(O)O)c(C(CCCC)(CCCC)P(=O)(O)O)cc1C(CCCC)(CCCC)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 14/20 0.48
▸ GGPS1 O95749 7/20 0.44
▸ SMPD1 P17405 2/20 0.41
▸ LPAR1 Q92633 1/20 0.41
▸ LPAR3 Q9UBY5 1/20 0.41
▸ PGK1 P00558 1/20 0.37
▸ PGK2 P07205 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36

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 0.92 GGPS1 (0.55) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL11764065 0.88 FDPS (0.46) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL11759766 0.85 GGPS1 (0.52) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL11761970 0.81 FDPS (0.54) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL11766176 0.80 ACP3 (0.43) FDPSGGPS1
SCHEMBL16191369 0.80 GGPS1 (0.42) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL11763736 0.79 PGK1 (0.42) FDPSGGPS1PGK1PGK2
SCHEMBL11763080 0.77 FDPS (0.42) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL11759783 0.77 PTPN1 (0.46) FDPSGGPS1ESR1ESR2
SCHEMBL11765728 0.77 FDPS (0.42) 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
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
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