SCHEMBL6564912

SCHEMBL6564912

CCc1cccc(-c2csc(CCc3ccc(CO)c(CO)c3)c2)c1C(O)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.39
PTPN5 P54829 1/20 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
SCHEMBL7639727 0.90 VDR (0.40) VDRPTPN5
SCHEMBL6564895 0.90 VDR (0.38) VDR
SCHEMBL6564989 0.85 VDR (0.40) VDRPTPN5
SCHEMBL6563017 0.84 VDR (0.39) VDRPTPN5
SCHEMBL6564520 0.83 VDR (0.35) VDR
SCHEMBL6564908 0.80 VDR (0.38) VDR
SCHEMBL6564892 0.76 VDR (0.38) VDR
SCHEMBL7638648 0.74 VDR (0.40) VDR
SCHEMBL6564949 0.74 VDR (0.39) VDR
SCHEMBL6564789 0.73 VDR (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP claimed
EP-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed