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SCHEMBL6563017

SCHEMBL6563017

CCc1cccc(-c2ccc(CCc3ccc(CO)c(CO)c3)s2)c1C(O)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 4/20 0.39
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ ACACA Q13085 1/20 0.32
▸ PTPN5 P54829 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ S1PR1 P21453 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
SCHEMBL6565124 0.89 VDR (0.38) VDRNR1H2NR1H3
SCHEMBL6564989 0.85 VDR (0.40) VDRPTPN5
SCHEMBL6564912 0.84 VDR (0.39) VDRPTPN5
SCHEMBL6563014 0.80 VDR (0.39) VDRNR1H2NR1H3CYP2C9S1PR1
SCHEMBL6565120 0.76 VDR (0.38) VDRNR1H2NR1H3
SCHEMBL7638648 0.75 VDR (0.40) VDR
SCHEMBL6564949 0.74 VDR (0.39) VDR
SCHEMBL7639727 0.74 VDR (0.40) VDRPTPN5
SCHEMBL6564895 0.73 VDR (0.38) VDR
SCHEMBL6564553 0.73 VDR (0.39) VDRS1PR1

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 claimed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 — — WO claimed