SCHEMBL6154980

SCHEMBL6154980

CCC(O)(CC)CCCC(C)c1cccc(COc2ccc(C(O[SiH](C)C)C(C)(C)C)c(C(O[SiH](C)C)C(C)(C)C)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
MAOB P27338 2/20 0.32
GRM5 P41594 1/20 0.32
MRGPRX4 Q96LA9 2/20 0.31
FFAR1 O14842 2/20 0.31
BCHE P06276 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADAMTS4 O75173 2/20 0.30
MMP13 P45452 2/20 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
SCHEMBL6155759 0.92 CYSLTR2 (0.36) PTGER3CYSLTR2CYSLTR1MAOBGRM5
SCHEMBL6878848 0.84 CYSLTR2 (0.38) PTGER3CYSLTR2CYSLTR1MAOBGRM5
SCHEMBL5968372 0.78 PTGER3 (0.41) PTGER3CYSLTR2CYSLTR1FFAR1BCHE
SCHEMBL2106608 0.78 MRGPRX4 (0.42) PTGER3MRGPRX4FFAR1TP53PKM
SCHEMBL2106606 0.77 VDR (0.43) PTGER3CYSLTR2CYSLTR1MAOBMRGPRX4
SCHEMBL6155131 0.74 CYSLTR2 (0.36) CYSLTR2CYSLTR1FFAR1SMN1; SMN2ADAMTS4
SCHEMBL6884382 0.74 MAOB (0.50) MAOBMRGPRX4TP53PKMNFKB1
SCHEMBL6154987 0.74 PTGER3 (0.34) PTGER3CYSLTR2CYSLTR1MAOBGRM5
SCHEMBL6154985 0.74 PTGER3 (0.35) PTGER3CYSLTR2CYSLTR1MAOBMRGPRX4
SCHEMBL6158466 0.73 NOS1 (0.37) CYSLTR2CYSLTR1MAOBFFAR1BCHE

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-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US 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