SCHEMBL6566401

SCHEMBL6566401

CCC(O)(CC)c1ccc(-c2cccc(COc3ccc(C(=O)O)c(C(=O)O)c3)c2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.51
FFAR4 Q5NUL3 1/20 0.48
NR1H4 Q96RI1 1/20 0.46
PTPN11 Q06124 1/20 0.46
PPARD Q03181 3/20 0.44
VDR P11473 1/20 0.43
NR4A2 P43354 1/20 0.42

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
SCHEMBL6889121 0.88 FFAR1 (0.47) FFAR1FFAR4NR1H4PPARDVDR
SCHEMBL6564943 0.83 FFAR1 (0.52) FFAR1FFAR4NR1H4PTPN11PPARD
SCHEMBL6563025 0.82 VDR (0.58) FFAR1FFAR4NR1H4PPARDVDR
SCHEMBL7611165 0.78 FFAR1 (0.47) FFAR1FFAR4NR1H4PTPN11
SCHEMBL6564951 0.78 FFAR1 (0.46) FFAR1FFAR4NR1H4PTPN11PPARD
SCHEMBL27568017 0.77 VDR (0.42) FFAR1FFAR4NR1H4PPARDVDR
SCHEMBL6562865 0.76 VDR (0.61) FFAR1FFAR4VDRNR4A2
SCHEMBL6565068 0.75 FFAR1 (0.49) FFAR1FFAR4NR4A2
SCHEMBL27587223 0.72 VDR (0.43) FFAR1FFAR4PTPN11VDRNR4A2
SCHEMBL6886230 0.71 FFAR1 (0.48) FFAR1FFAR4NR1H4PPARD

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 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