SCHEMBL6564818

SCHEMBL6564818

Cc1cc(C(=O)O)ccc1-c1cccc(OCc2ccc(COC(=O)c3ccccc3)c(COC(=O)c3ccccc3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.54
NR4A2 P43354 7/20 0.51
NR1H4 Q96RI1 2/20 0.49
FFAR1 O14842 2/20 0.45
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL6888101 0.93 MRGPRX4 (0.47) MRGPRX4NR4A2NR1H4FFAR1FFAR4
SCHEMBL6562778 0.90 NR1H4 (0.48) MRGPRX4NR4A2NR1H4FFAR1NR4A1
SCHEMBL6563998 0.88 MRGPRX4 (0.53) MRGPRX4NR4A2FFAR1NR4A1NR4A3
SCHEMBL6564131 0.88 MRGPRX4 (0.51) MRGPRX4NR4A2NR1H4FFAR1NR4A1
SCHEMBL6566359 0.88 MRGPRX4 (0.66) MRGPRX4NR4A2NR1H4NR4A1NR4A3
SCHEMBL6566321 0.87 MRGPRX4 (0.48) MRGPRX4NR4A2NR1H4
SCHEMBL6566172 0.86 MRGPRX4 (0.63) MRGPRX4NR4A2NR1H4
SCHEMBL6562981 0.85 MRGPRX4 (0.52) MRGPRX4NR4A2NR1H4
SCHEMBL6883961 0.84 MRGPRX4 (0.55) MRGPRX4NR4A2
SCHEMBL6887724 0.83 MRGPRX4 (0.53) MRGPRX4NR4A2NR1H4

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 3 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 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