SCHEMBL9828768

SCHEMBL9828768

C=C(COC(=O)CCCCCCC[n+]1ccsc1)COC(=O)OCCCCCCCCCCCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.39
DGKA P23743 1/20 0.39

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
Bromide SCHEMBL9828892 0.99 PAM (0.39) PAM
Bromide SCHEMBL9828597 0.99 PAM (0.39) PAM
Bromide SCHEMBL9830119 0.91 PAM (0.44) PAM
SCHEMBL9828756 0.89
Bromide SCHEMBL9829447 0.85 HSP90AA1 (0.47) PAM
Bromide SCHEMBL9830784 0.85 HSP90AA1 (0.47) PAM
Bromide SCHEMBL9828676 0.85 HSP90AA1 (0.47) PAM
SCHEMBL9827860 0.84
SCHEMBL9829480 0.83 GMNN (0.49)
SCHEMBL9828360 0.83 GMNN (0.49)

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
EP-0247201-B1 PROPANE-1,3-DIOL DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1991-05-15 EP claimed