SCHEMBL6154780

SCHEMBL6154780

CCC(=CC=CC(O)(CC)CC)c1cc(OC)cc(OCc2ccc(C(O)O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.53
FFAR1 O14842 5/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
MAOB P27338 4/20 0.33
SMPD1 P17405 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
APP P05067 1/20 0.32
NQO2 P16083 1/20 0.32
IDH1 O75874 1/20 0.31

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
SCHEMBL2781788 0.87 VDR (0.70) VDRMAOBSMPD1
SCHEMBL6155907 0.83 VDR (0.77) VDRFFAR1PPARGPPARDPPARA
SCHEMBL6154778 0.83 VDR (0.77) VDRFFAR1PPARGPPARDPPARA
SCHEMBL6154773 0.83 VDR (0.77) VDRFFAR1PPARGPPARDPPARA
SCHEMBL6155229 0.82 VDR (0.47) VDRFFAR1PPARAMAOBPOLB
SCHEMBL6155591 0.80 VDR (0.62) VDRNPC1RAB9ASMN1; SMN2
SCHEMBL6154810 0.80 VDR (0.48) VDRFFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL6156334 0.80 VDR (0.48) VDRFFAR1MAOBNPC1RAB9A
SCHEMBL2801801 0.77 VDR (0.55) VDRMAOBSMPD1
SCHEMBL3280129 0.76 VDR (0.72) VDRMAOBSMPD1

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-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-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