SCHEMBL6564943

SCHEMBL6564943

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.52
NR1H4 Q96RI1 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48
PTPN11 Q06124 2/20 0.47
NR4A2 P43354 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.45
PPARD Q03181 1/20 0.45

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
SCHEMBL6886230 0.88 FFAR1 (0.48) FFAR1NR1H4FFAR4MRGPRX4PPARD
SCHEMBL6566401 0.83 FFAR1 (0.51) FFAR1NR1H4FFAR4PTPN11NR4A2
SCHEMBL7611165 0.79 FFAR1 (0.47) FFAR1NR1H4FFAR4PTPN11
SCHEMBL6564951 0.78 FFAR1 (0.46) FFAR1NR1H4FFAR4PTPN11PPARD
SCHEMBL6565068 0.76 FFAR1 (0.49) FFAR1FFAR4NR4A2MRGPRX4
SCHEMBL9394690 0.72 NR4A2 (0.64) NR1H4NR4A2MRGPRX4
SCHEMBL9394698 0.72 NR4A2 (0.64) NR4A2MRGPRX4
SCHEMBL7161222 0.72 MAOB (0.65) NR4A2
SCHEMBL6889121 0.71 FFAR1 (0.47) FFAR1NR1H4FFAR4MRGPRX4PPARD
SCHEMBL7179554 0.71 SMN1; SMN2 (0.58) FFAR1MRGPRX4

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