SCHEMBL6889059

SCHEMBL6889059

CCOC(=O)c1ccc(-c2cccc(OCc3ccc(COC(=O)c4ccccc4)c(COC(=O)c4ccccc4)c3)c2)c(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.48
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
PPARG P37231 1/20 0.42
NR4A2 P43354 2/20 0.41
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 1/20 0.41
MAOB P27338 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL6883932 0.93 FFAR1 (0.48) FFAR1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL6564131 0.93 MRGPRX4 (0.51) FFAR1MRGPRX4NR4A2NR4A1NR4A3
SCHEMBL6887724 0.87 MRGPRX4 (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6883961 0.86 MRGPRX4 (0.55) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6888101 0.83 MRGPRX4 (0.47) FFAR1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL6564818 0.83 MRGPRX4 (0.54) FFAR1MRGPRX4NR4A2NR4A1NR4A3
SCHEMBL6883959 0.81 NPC1 (0.46) FFAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL6888088 0.79 PPARG (0.46) FFAR1MAPTALDH1A1SMN1; SMN2MRGPRX4
SCHEMBL6882555 0.78 MRGPRX4 (0.55) FFAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL6566172 0.78 MRGPRX4 (0.63) NPC1RAB9ASMN1; SMN2MRGPRX4NR4A2

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 1 patent. 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