SCHEMBL6562778

SCHEMBL6562778

Cc1cc(C(=O)O)ccc1-c1ccc(OCc2ccc(COC(=O)c3ccccc3)c(COC(=O)c3ccccc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.48
MRGPRX4 Q96LA9 11/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
PKM P14618 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
RARB P10826 1/20 0.45
FFAR1 O14842 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 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
SCHEMBL6882624 0.92 SMN1; SMN2 (0.45) NR1H4MRGPRX4SMN1; SMN2RAB9AFFAR1
SCHEMBL6564818 0.90 MRGPRX4 (0.54) NR1H4MRGPRX4FFAR1NR4A1NR4A2
SCHEMBL6566321 0.89 MRGPRX4 (0.48) NR1H4MRGPRX4SMN1; SMN2TP53PKM
SCHEMBL6565076 0.88 MRGPRX4 (0.47) NR1H4MRGPRX4SMN1; SMN2RAB9AFFAR1
SCHEMBL6888088 0.84 PPARG (0.46) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL6888101 0.83 MRGPRX4 (0.47) NR1H4MRGPRX4SMN1; SMN2RAB9AFFAR1
SCHEMBL9394690 0.83 NR4A2 (0.64) NR1H4MRGPRX4SMN1; SMN2TP53PKM
SCHEMBL6562731 0.82 MRGPRX4 (0.48) MRGPRX4SMN1; SMN2TP53NFKB1NFKB2
SCHEMBL6562842 0.82 MRGPRX4 (0.47) NR1H4MRGPRX4SMN1; SMN2TP53PKM
SCHEMBL6886884 0.82 MRGPRX4 (0.43) MRGPRX4SMN1; SMN2PKMRAB9AALDH1A1

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