SCHEMBL6579160

SCHEMBL6579160

CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1cc(CCc2ccc(CO)c(CO)c2)ccc1CC.CCCc1cc(C(O)(CC)CC)ccc1-c1cc(N(CCC)Cc2ccc(CO)c(CO)c2)ccc1CC

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.60
NR1H2 P55055 17/20 0.44
NR1H3 Q13133 17/20 0.44
NR1I2 O75469 1/20 0.37
MLYCD O95822 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
SCHEMBL6579866 0.96 VDR (0.68) VDRNR1H2NR1H3NR1I2MLYCD
SCHEMBL4891361 0.95 VDR (0.53) VDRNR1H2NR1H3NR1I2MLYCD
SCHEMBL4891131 0.93 VDR (0.65) VDRNR1H2NR1H3NR1I2
SCHEMBL4887639 0.89 VDR (0.52) VDRNR1H2NR1H3NR1I2MLYCD
SCHEMBL4895050 0.88 VDR (0.65) VDRNR1H2NR1H3NR1I2
SCHEMBL4883569 0.87 VDR (0.60) VDRNR1H2NR1H3NR1I2
SCHEMBL4886580 0.86 VDR (0.63) VDRNR1H2NR1H3
SCHEMBL4883054 0.85 VDR (0.73) VDRNR1H2NR1H3NR1I2
SCHEMBL4884687 0.85 VDR (0.52) VDRNR1H2NR1H3MLYCD
SCHEMBL6577582 0.85 VDR (0.48) VDRNR1H2NR1H3NR1I2MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456160-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-09-15 EP disclosed
WO-2003050067-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2003-06-19 WO disclosed