SCHEMBL6156493

SCHEMBL6156493

O=C(O)CCCCC=Cc1cccc(C=Cc2cc(OC3CCCCO3)cc(OC3CCCCO3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.41
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PPARA Q07869 2/20 0.38
FFAR1 O14842 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
HSD11B1 P28845 1/20 0.36
ALB P02768 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPOR P19235 1/20 0.35
PTGFR P43088 5/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
TBXA2R P21731 1/20 0.35

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
SCHEMBL6879375 0.90 KDM4E (0.37) LTB4RLTB4R2PPARAPPARGHSD11B1
SCHEMBL6158244 0.86 PPARA (0.39) PPARAFFAR1PPARGPPARDALB
SCHEMBL6156458 0.85 HMGCR (0.40) HSD11B1MEN1KMT2A
SCHEMBL6886057 0.76 CYP4F2 (0.39)
SCHEMBL10698112 0.72 FFAR4 (0.48) PPARAPPARGMEN1KMT2ACYSLTR2
SCHEMBL9508940 0.72 OXER1 (0.35) TBXAS1LTB4RLTB4R2PPARAFFAR1
SCHEMBL6156397 0.72 PPARA (0.47) TBXAS1LTB4RLTB4R2PPARAFFAR1
SCHEMBL6156403 0.72 PPARA (0.47) TBXAS1LTB4RLTB4R2PPARAFFAR1
SCHEMBL3135246 0.71 LTB4R (0.58) TBXAS1LTB4RLTB4R2PPARAFFAR1
SCHEMBL3135249 0.71 LTB4R (0.58) TBXAS1LTB4RLTB4R2PPARAFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556460-A1 SUPERCRITICAL HYDRO EXTRACTION OF KEROGEN AND AQUEOUS EXTRACTION OF ALUMINA AND SODA ASH WITH A RESIDUE FOR PORTLAND CEMENT PRODUCTION Rendall, John S. (US) 2005-07-27 EP disclosed
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
WO-2004026993-A1 SUPERCRITICAL HYDRO EXTRACTION OF KEROGEN AND AQUEOUS EXTRACTION OF ALUMINA AND SODA ASH WITH A RESIDUE FOR PORTLAND CEMENT PRODUCTION RENDALL JOHN S (US) 2004-04-01 WO disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed