SCHEMBL6155872

SCHEMBL6155872

CC(CC=CC(C)(C)O)c1cccc(OCc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.49
FFAR1 O14842 4/20 0.38
SPHK1 Q9NYA1 1/20 0.36
BCHE P06276 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALOX5 P09917 3/20 0.34

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
SCHEMBL6155852 1.00 VDR (0.49) VDRFFAR1SPHK1BCHEMAOA
SCHEMBL2781455 0.91 VDR (0.58) VDRFFAR1SPHK1BCHEMAOA
SCHEMBL2781452 0.91 VDR (0.58) VDRFFAR1SPHK1BCHEMAOA
SCHEMBL6155865 0.84 FFAR1 (0.40) FFAR1SPHK1BCHEMAOAMAOB
SCHEMBL6155553 0.82 FFAR1 (0.43) FFAR1ALOX5
SCHEMBL6155559 0.82 FFAR1 (0.43) FFAR1ALOX5
SCHEMBL6155571 0.81 VDR (0.46) VDRFFAR1SPHK1BCHEALOX5
SCHEMBL6880164 0.80 FFAR1 (0.42) FFAR1
SCHEMBL6880160 0.80 FFAR1 (0.42) FFAR1
SCHEMBL6155242 0.78 VDR (0.44) VDRFFAR1SPHK1BCHE

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