SCHEMBL9521654

SCHEMBL9521654

CCC(=O)OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@H]1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ TLR4 O00206 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ PRKCE Q02156 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ PRKCZ Q05513 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ PRKD1 Q15139 1/20 0.33
▸ GAA P10253 1/20 0.30
▸ PYGB P11216 1/20 0.30
▸ NAAA Q02083 1/20 0.30
▸ LGALS8 O00214 1/20 0.30

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
SCHEMBL2320834 0.85 TLR4 (0.44) PTGS1PTGS2SLC2A1MAPTTLR4
SCHEMBL16259333 0.85 TLR4 (0.44) PTGS1PTGS2SLC2A1MAPTTLR4
SCHEMBL17866090 0.72 SLC2A1 (0.47) PTGS1PTGS2SLC2A1MAPTTLR4
SCHEMBL10071446 0.71 NAAA (0.38) MAPTTLR4PRKD3PRKCGPRKCB
SCHEMBL23620826 0.71 MAPT (0.58) MAPTLGALS8
SCHEMBL15657559 0.71 MAPT (0.58) MAPTLGALS8
SCHEMBL17318218 0.71 SLC2A1 (0.49) PTGS1PTGS2SLC2A1MAPTTLR4
SCHEMBL31689178 0.71 MAPT (0.58) MAPTLGALS8
SCHEMBL22076457 0.71 MAPT (0.58) MAPTLGALS8
SCHEMBL31689148 0.71 MAPT (0.58) MAPTLGALS8

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-0302253-B1 3-DEMETHYL-4-FLUORO-MEVALONIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS BASED ON THOSE COMPOUNDS, THEIR USE AND INTERMEDIATES HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-07 — — EP disclosed
US-4898868-A ANTICHOLESTEROL AGENTS; LACTONE OR FREE ACID FORM HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-06 — — US disclosed
Send feedback