SCHEMBL6562731

SCHEMBL6562731

Cc1cc(C(=O)O)ccc1-c1cccc(OCc2ccc(COC(=O)c3ccccc3)c(COC(=O)c3ccccc3)c2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 15/20 0.48
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGER1 P34995 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6886989 0.93 MAPT (0.53) MRGPRX4RXRARXRBRXRGRAB9A
SCHEMBL6566454 0.89 MRGPRX4 (0.47) MRGPRX4RXRARXRBRXRGRAB9A
SCHEMBL6564136 0.88 RXRA (0.52) MRGPRX4RXRARXRBRXRGRAB9A
SCHEMBL6889652 0.84 RAB9A (0.52) MRGPRX4RXRARXRBRXRGRAB9A
SCHEMBL6889062 0.83 RAB9A (0.54) MRGPRX4RXRARXRBRXRGRAB9A
SCHEMBL6566321 0.83 MRGPRX4 (0.48) MRGPRX4RXRARXRBRAB9AL3MBTL1
SCHEMBL6564818 0.83 MRGPRX4 (0.54) MRGPRX4
SCHEMBL6562778 0.82 NR1H4 (0.48) MRGPRX4RXRARXRBRAB9AL3MBTL1
SCHEMBL6886884 0.76 MRGPRX4 (0.43) MRGPRX4RAB9ALMNAMAPTL3MBTL1
SCHEMBL6888101 0.76 MRGPRX4 (0.47) MRGPRX4RAB9ALMNAMAPTL3MBTL1

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