SCHEMBL6564928

SCHEMBL6564928

CCC(O)(CC)c1ccc(-c2cc(OCc3ccc(CO)c(CO)c3)ccc2C)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.64
FFAR1 O14842 9/20 0.37
PPARD Q03181 8/20 0.37
MAOB P27338 1/20 0.34
PPARA Q07869 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGER4 P35408 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR5 Q9H228 2/20 0.33
PRKD3 O94806 1/20 0.33
CDK7 P50613 1/20 0.33
JAK3 P52333 1/20 0.33
TNK2 Q07912 1/20 0.33
PDGFRA P16234 1/20 0.33
ROCK1 Q13464 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL6564192 0.90 VDR (0.68) VDRFFAR1PPARDMAOBALOX5
SCHEMBL6564993 0.89 VDR (0.61) VDRFFAR1PPARDMAOBALOX5
SCHEMBL6562993 0.88 VDR (0.65) VDRFFAR1MAOBALOX5PTGER4
SCHEMBL6564164 0.87 VDR (0.77) VDRFFAR1PPARDMAOBALOX5
SCHEMBL2641441 0.86 VDR (0.84) VDRFFAR1PPARDMAOBPPARA
SCHEMBL6566261 0.86 VDR (0.63) VDRFFAR1MAOB
SCHEMBL6563016 0.85 VDR (0.80) VDRFFAR1MAOBALOX5S1PR1
SCHEMBL6566698 0.85 VDR (0.62) VDRFFAR1PPARDMAOBS1PR1
SCHEMBL6564607 0.83 VDR (0.57) VDRFFAR1MAOBPTGER4
SCHEMBL6564865 0.82 VDR (0.64) VDRFFAR1MAOBS1PR1S1PR5

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 4 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