SCHEMBL3280127

SCHEMBL3280127

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 1.00
MAOB P27338 11/20 0.41
NR4A2 P43354 2/20 0.37
MAOA P21397 3/20 0.36
F2 P00734 3/20 0.35
NR4A1 P22736 1/20 0.35
NR4A3 Q92570 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
SCHEMBL3280121 1.00 VDR (1.00) VDRMAOBNR4A2MAOAF2
SCHEMBL3280131 1.00 VDR (1.00) VDRMAOBNR4A2MAOAF2
SCHEMBL2783741 0.89 VDR (1.00) VDRMAOBNR4A2MAOAF2
SCHEMBL2781792 0.89 VDR (1.00) VDRMAOBNR4A2MAOAF2
SCHEMBL2781782 0.89 VDR (1.00) VDRMAOBNR4A2MAOAF2
SCHEMBL2781784 0.89 VDR (1.00) VDRMAOBNR4A2MAOAF2
SCHEMBL13406135 0.88 VDR (0.79) VDRMAOBNR4A2MAOAF2
SCHEMBL3280656 0.85 VDR (1.00) VDR
SCHEMBL30019742 0.85 VDR (1.00) VDR
SCHEMBL3278410 0.85 VDR (1.00) VDR

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
US-7700657-B2 Vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-20 US claimed
US-20040224929-A1 Novel vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-11-11 US claimed
US-7700657-B2 Vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-20 US disclosed
US-7700657-B2 Vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-20 US disclosed
EP-1395538-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2009-12-30 EP disclosed
US-20040224929-A1 Novel vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-11-11 US disclosed
EP-1395538-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-03-10 EP disclosed
WO-2002094754-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2002-11-28 WO disclosed