SCHEMBL6564879

SCHEMBL6564879

CC/C(=C\CCC(CC)(CC)O[Si](CC)(CC)CC)c1cncc(COc2ccc(C(=O)O)c(C(=O)O)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MAOB P27338 2/20 0.32
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOA P21397 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NR1H4 Q96RI1 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
SCHEMBL6564885 1.00 MRGPRX4 (0.34) MRGPRX4CYP4F2CYP4A11MAOBTP53
SCHEMBL6886891 0.90 MRGPRX4 (0.32) MRGPRX4CYP4F2CYP4A11MAOBSMN1; SMN2
SCHEMBL6886887 0.90 MRGPRX4 (0.32) MRGPRX4CYP4F2CYP4A11MAOBSMN1; SMN2
SCHEMBL6562874 0.87 CYP4F2 (0.34) MRGPRX4CYP4F2CYP4A11MAOBTP53
SCHEMBL6562882 0.87 CYP4F2 (0.34) MRGPRX4CYP4F2CYP4A11MAOBTP53
SCHEMBL6564880 0.84 MAOB (0.32) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL6564886 0.84 MAOB (0.32) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL6564155 0.80 MRGPRX4 (0.39) MRGPRX4TP53MAPTL3MBTL1
SCHEMBL6564148 0.80 MRGPRX4 (0.39) MRGPRX4TP53MAPTL3MBTL1
SCHEMBL6566186 0.79

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-1235824-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-05-19 EP disclosed
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed