SCHEMBL6155784

SCHEMBL6155784

CCC(=CCCC(O)(CC)CC)c1cccc(COc2ccc(C(=O)O)c(C(=O)O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 19/20 0.47
TP53 P04637 2/20 0.47
PKM P14618 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL6155781 1.00 MRGPRX4 (0.47) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6881304 0.89 MRGPRX4 (0.46) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6881311 0.89 MRGPRX4 (0.46) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6562874 0.87 CYP4F2 (0.34) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6562882 0.87 CYP4F2 (0.34) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6155184 0.83 VDR (0.48) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6155188 0.83 VDR (0.48) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6155176 0.83 VDR (0.48) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6155547 0.83 VDR (0.50) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6155539 0.83 VDR (0.50) MRGPRX4TP53PKMNFKB1NFKB2

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-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed