SCHEMBL6562934

SCHEMBL6562934

CCC(O)c1cc(-c2cccc(OCc3ccc(CO)c(CO)c3)c2)cs1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.43
MRGPRX4 Q96LA9 2/20 0.37
MAOB P27338 2/20 0.34
NR4A2 P43354 1/20 0.34
F2 P00734 1/20 0.34
FFAR1 O14842 3/20 0.34
PPARD Q03181 1/20 0.34
F9 P00740 3/20 0.34
F10 P00742 3/20 0.34
PTGER4 P35408 1/20 0.34
ALOX5 P09917 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
SCHEMBL7042563 0.89 VDR (0.42) VDRMRGPRX4MAOBNR4A2FFAR1
SCHEMBL6562943 0.84 FFAR1 (0.40) MRGPRX4MAOBFFAR1F9F10
SCHEMBL7607829 0.77 FFAR1 (0.33) VDRFFAR1
SCHEMBL7608533 0.77 VDR (0.42) VDRMRGPRX4NR4A2F2FFAR1
SCHEMBL7606366 0.77 VDR (0.44) VDRMRGPRX4MAOBNR4A2FFAR1
SCHEMBL7608339 0.76 VDR (0.42) VDRMRGPRX4MAOBFFAR1PPARD
SCHEMBL7608503 0.76 VDR (0.44) VDRMRGPRX4MAOBNR4A2F2
SCHEMBL7613338 0.76 VDR (0.44) VDRMRGPRX4NR4A2F2FFAR1
SCHEMBL7604645 0.74 VDR (0.42) VDRMRGPRX4MAOBFFAR1PPARD
SCHEMBL7608336 0.74 VDR (0.42) VDRMRGPRX4FFAR1ALOX5

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
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP claimed
CN-1423627-A Vitamin D analogues GALDERMA RES & DEV (FR) 2003-06-11 CN 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