SCHEMBL6566427

SCHEMBL6566427

CCC(O)(CC)c1ccc(-c2ccc(COc3ccc(CO)c(CO)c3)s2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.51
ESR2 Q92731 3/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 2/20 0.31
MAOB P27338 1/20 0.30
FFAR1 O14842 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
SCHEMBL6562954 0.91 VDR (0.57) VDRLMNAPOLBRAB9AATM
SCHEMBL6566493 0.85 VDR (0.51) VDRLMNAPOLBRAB9AATM
SCHEMBL6563004 0.85 VDR (0.51) VDRESR2ESR1
SCHEMBL6566504 0.82 VDR (0.50) VDR
SCHEMBL6564145 0.82 VDR (0.55) VDRMAOB
SCHEMBL6563023 0.81 VDR (0.61) VDRESR2
SCHEMBL6563025 0.77 VDR (0.58) VDRFFAR1
SCHEMBL6564192 0.77 VDR (0.68) VDRLMNAMAOBFFAR1
SCHEMBL6562993 0.76 VDR (0.65) VDRMAOBFFAR1
SCHEMBL6563016 0.76 VDR (0.80) VDRMAOBFFAR1

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-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP claimed
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP disclosed