SCHEMBL6564914

SCHEMBL6564914

CCC(O)(CC)c1ccc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.50
CD274 Q9NZQ7 11/20 0.42
PDCD1 Q15116 4/20 0.42
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MRGPRX4 Q96LA9 2/20 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
SCHEMBL6563072 0.89 VDR (0.53) VDRCD274PDCD1MAPTMAPK1
SCHEMBL6563045 0.88 VDR (0.47) VDRCD274PDCD1MAPTMAPK1
SCHEMBL27587237 0.82 VDR (0.34) VDRCD274PDCD1MAPTMAPK1
SCHEMBL6563022 0.81 VDR (0.47) VDRCD274PDCD1MAPTMAPK1
SCHEMBL6564607 0.80 VDR (0.57) VDRMRGPRX4
SCHEMBL6564928 0.79 VDR (0.64) VDR
SCHEMBL7612427 0.79 CD274 (0.40) CD274PDCD1
SCHEMBL7604546 0.78 CD274 (0.40) VDRCD274PDCD1
SCHEMBL7612422 0.78 CD274 (0.40) VDRCD274PDCD1MAPTMAPK1
SCHEMBL6562993 0.78 VDR (0.65) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831106-B1 Selective activity on cell proliferation and differentiation without displaying any hypercalcaemiant nature GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-14 US claimed
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP claimed
US-6831106-B1 Selective activity on cell proliferation and differentiation without displaying any hypercalcaemiant nature GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-14 US disclosed
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP disclosed
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