SCHEMBL6155936

SCHEMBL6155936

CCC(OCCC(O)(CC)CC)c1cccc(OCc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.48
FFAR1 O14842 4/20 0.41
ALOX5 P09917 3/20 0.35
MAOB P27338 2/20 0.34
SPHK1 Q9NYA1 1/20 0.33

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
SCHEMBL6155944 0.85 FFAR1 (0.41) FFAR1ALOX5MAOB
SCHEMBL2785501 0.82 VDR (0.49) VDRFFAR1ALOX5SPHK1
SCHEMBL6155609 0.80 VDR (0.48) VDRFFAR1ALOX5SPHK1
SCHEMBL6155503 0.79 VDR (0.47) VDRFFAR1ALOX5SPHK1
SCHEMBL6884483 0.77 VDR (0.48) VDRFFAR1ALOX5MAOB
SCHEMBL6156153 0.74 VDR (0.47) VDRFFAR1MAOBSPHK1
SCHEMBL4169944 0.74 VDR (0.50) VDRALOX5MAOB
SCHEMBL6156380 0.74 VDR (0.50) VDRALOX5MAOB
SCHEMBL2106606 0.73 VDR (0.43) VDRMAOB
SCHEMBL6158285 0.73 VDR (0.49) VDRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP claimed
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 claimed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP claimed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO claimed
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP 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