SCHEMBL6562954

SCHEMBL6562954

CCc1cc(C(O)(CC)CC)ccc1-c1ccc(COc2ccc(CO)c(CO)c2)s1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.57
FFAR4 Q5NUL3 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAOB P27338 1/20 0.30
SRD5A2 P31213 1/20 0.30

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
SCHEMBL6566427 0.91 VDR (0.51) VDRLMNAPOLBRAB9AATM
SCHEMBL6564597 0.83 VDR (0.61) VDRMAOB
SCHEMBL6564065 0.83 VDR (0.56) VDRSRD5A2
SCHEMBL6565015 0.81 VDR (0.57) VDR
SCHEMBL6566493 0.78 VDR (0.51) VDRLMNAPOLBRAB9AATM
SCHEMBL6563004 0.78 VDR (0.51) VDR
SCHEMBL2854911 0.78 VDR (0.88) VDRMAOB
SCHEMBL6564164 0.76 VDR (0.77) VDRFFAR4LMNAMAOB
SCHEMBL6566504 0.76 VDR (0.50) VDR
SCHEMBL4888601 0.75 VDR (0.92) VDRPOLBRAB9AMAOB

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