SCHEMBL6562842

SCHEMBL6562842

Cc1ccc(OCc2ccc(COC(=O)c3ccccc3)c(COC(=O)c3ccccc3)c2)cc1-c1c(C)cc(C(=O)O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 10/20 0.47
PPARA Q07869 2/20 0.43
NR4A2 P43354 2/20 0.41
TP53 P04637 2/20 0.41
PKM P14618 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOB P27338 1/20 0.40
FFAR1 O14842 1/20 0.39
PPARD Q03181 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
SCHEMBL6885435 0.92 MRGPRX4 (0.41) MRGPRX4PPARASMN1; SMN2RAB9AMEN1
SCHEMBL6566321 0.89 MRGPRX4 (0.48) MRGPRX4PPARANR4A2TP53PKM
SCHEMBL6565076 0.88 MRGPRX4 (0.47) MRGPRX4PPARANR4A2SMN1; SMN2RAB9A
SCHEMBL6563998 0.86 MRGPRX4 (0.53) MRGPRX4NR4A2MAOBFFAR1
SCHEMBL6888088 0.84 PPARG (0.46) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6886884 0.83 MRGPRX4 (0.43) MRGPRX4PKMSMN1; SMN2RAB9AMEN1
SCHEMBL6566454 0.83 MRGPRX4 (0.47) MRGPRX4TP53NFKB1NFKB2RELA
SCHEMBL6562778 0.82 NR1H4 (0.48) MRGPRX4NR4A2TP53PKMNFKB1
SCHEMBL6564818 0.80 MRGPRX4 (0.54) MRGPRX4NR4A2NR1H4FFAR1
SCHEMBL6890556 0.78 NR1H2 (0.47) MRGPRX4NR4A2SMN1; SMN2MEN1KMT2A

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