SCHEMBL6562808

SCHEMBL6562808

CCC(CC)(CCC=C(C)c1ccc(COc2ccc(C(=O)O)c(C(=O)O)c2)s1)O[Si](CC)(CC)CC

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.31
PRSS1 P07477 2/20 0.30
TMPRSS15 P98073 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6562805 1.00 MRGPRX4 (0.31) MRGPRX4PRSS1TMPRSS15ALDH1A1
SCHEMBL6883872 0.90 MRGPRX4 (0.34) MRGPRX4
SCHEMBL6883874 0.90 MRGPRX4 (0.34) MRGPRX4
SCHEMBL6562969 0.85 MRGPRX4 (0.34) MRGPRX4PRSS1TMPRSS15ALDH1A1
SCHEMBL6562973 0.85 MRGPRX4 (0.34) MRGPRX4PRSS1TMPRSS15ALDH1A1
SCHEMBL6566263 0.85 DAO (0.30)
SCHEMBL6565100 0.85 MAOB (0.32)
SCHEMBL6565090 0.85 MAOB (0.32)
SCHEMBL6566259 0.85 DAO (0.30)
SCHEMBL6564886 0.78 MAOB (0.32)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235824-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-05-19 EP disclosed
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed
EP-1235824-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038320-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed