SCHEMBL2640259

SCHEMBL2640259

CCCc1cc(C(O)(CC)CC)ccc1-c1cc(N(C)Cc2ccc(CO)c(CO)c2)ccc1C.CCCc1cc(C(O)(CC)CC)ccc1-c1cc(N(CC)Cc2ccc(CO)c(CO)c2)ccc1C

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.67
S1PR1 P21453 8/20 0.37
NR1H2 P55055 4/20 0.32
NR1H3 Q13133 4/20 0.32

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
SCHEMBL4890229 0.96 VDR (0.73) VDRS1PR1NR1H2NR1H3
SCHEMBL4891911 0.95 VDR (0.74) VDR
SCHEMBL4883054 0.90 VDR (0.73) VDRS1PR1NR1H2NR1H3
SCHEMBL4895050 0.87 VDR (0.65) VDRS1PR1NR1H2NR1H3
SCHEMBL4892735 0.86 VDR (0.66) VDR
SCHEMBL6563028 0.86 VDR (0.60) VDRS1PR1NR1H2NR1H3
SCHEMBL4893090 0.86 VDR (0.58) VDRS1PR1NR1H2NR1H3
SCHEMBL4888589 0.86 VDR (0.58) VDRNR1H2NR1H3
SCHEMBL6577582 0.83 VDR (0.48) VDRNR1H2NR1H3
SCHEMBL4891131 0.82 VDR (0.65) VDRS1PR1NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4652687-B2 2011-03-16 JP claimed
JP-2005511731-A 2005-04-28 JP claimed
EP-1456160-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-09-15 EP claimed
WO-2003050067-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2003-06-19 WO claimed