SCHEMBL6564553

SCHEMBL6564553

CCc1cccc(-c2cc(COc3ccc(CO)c(CO)c3)cs2)c1C(O)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.39
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPRB P23467 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31
PRKD3 O94806 1/20 0.30
S1PR1 P21453 1/20 0.30
CDK7 P50613 1/20 0.30
JAK3 P52333 1/20 0.30
TNK2 Q07912 1/20 0.30
S1PR5 Q9H228 1/20 0.30
PTGER1 P34995 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
SCHEMBL6889710 0.92 VDR (0.41) VDRPPARGPPARDPPARAPDK1
SCHEMBL7638648 0.91 VDR (0.40) VDR
SCHEMBL6564961 0.90 VDR (0.38) VDRPPARGPPARDPPARAPDK2
SCHEMBL6564989 0.85 VDR (0.40) VDR
SCHEMBL6564520 0.84 VDR (0.35) VDRPDK2
SCHEMBL6564550 0.81 VDR (0.39) VDRPDK1PDK2PDK3PDK4
SCHEMBL6564955 0.77 VDR (0.38) VDRPPARGPPARDPPARAPDK1
SCHEMBL6564949 0.74 VDR (0.39) VDR
SCHEMBL6564597 0.74 VDR (0.61) VDRPPARGPPARDPPARAMAOB
SCHEMBL6562832 0.74 VDR (0.35) VDRPDK2

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
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