SCHEMBL6060281

SCHEMBL6060281

O=C(O)c1c(CCCO)c(CCCO)c(C(=O)O)c(C(=O)O)c1CCCOC(=O)c1c(CCCCO)c(CCCCO)c(C(=O)O)c(CCCCO)c1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.35
TDP1 Q9NUW8 1/20 0.32
TDP2 O95551 2/20 0.31
CYP4F2 P78329 2/20 0.30
CYP4A11 Q02928 2/20 0.30
ESR1 P03372 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
SCHEMBL13372846 0.88 ADORA3 (0.35) ADORA3CYP4F2CYP4A11
SCHEMBL6060279 0.85 GPR84 (0.34) TDP1CYP4F2CYP4A11
SCHEMBL2468845 0.83 GPR84 (0.36) TDP1CYP4F2CYP4A11
SCHEMBL2468630 0.81 CAMK2A (0.35)
SCHEMBL6060284 0.80 CYP4A11 (0.33) CYP4F2CYP4A11
SCHEMBL5000926 0.80 ALDH1A1 (0.46) ESR1
SCHEMBL13372845 0.77 CAMK2A (0.32)
SCHEMBL25222526 0.76 ALDH1A1 (0.49) ESR1
SCHEMBL25282677 0.76 ALDH1A1 (0.49) ESR1
SCHEMBL25233238 0.76 ALDH1A1 (0.49) ESR1

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-7144972-B2 Copolyetherester compositions containing hydroxyalkanoic acids and shaped articles produced therefrom E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-12-05 US claimed