SCHEMBL9715173

SCHEMBL9715173

C=CCC(CO)C(O)c1cccc(F)c1OC

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 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
SCHEMBL9650911 0.82 CES2 (0.36)
SCHEMBL9650127 0.79 LMNA (0.43)
SCHEMBL9650347 0.77 CES2 (0.35)
SCHEMBL21816523 0.75 TSHR (0.36) KRAS
SCHEMBL9650334 0.74 GAA (0.37)
SCHEMBL16956132 0.74 KMT2A (0.35) KRAS
SCHEMBL9647516 0.71 CYP3A4 (0.39)
SCHEMBL16954606 0.70 KRAS (0.34) KRAS
SCHEMBL9650174 0.69 CYP2C19 (0.49)
SCHEMBL7779154 0.68 ADRA2B (0.35) KRAS

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266980-B1 PHARMACEUTICAL COMPOSITIONS, COMPRISING A 2,4-DIPHENYL-1,3-DIOXANE DERIVATIVE AND AN INHIBITOR OF THROMBOXANE A2 SYNTHESIS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-28 EP disclosed
EP-0201354-B1 2,4-DIPHENYL-1,3-DIOXANES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-09-19 EP disclosed
US-4908380-A Substituted 1,3-dioxane ether derivative; thromboxane A2 inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-03-13 US disclosed
US-4895962-A THROMBOXANE A2 ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-23 US disclosed
US-4775685-A THROMBOXANE A-2 ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-04 US disclosed
EP-0266980-A2 Pharmaceutical compositions, comprising a 2,4-diphenyl-1,3-dioxane derivative and an inhibitor of thromboxane A2 synthesis IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-11 EP disclosed
EP-0201354-A2 2,4-Diphenyl-1,3-Dioxanes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-11-12 EP disclosed