SCHEMBL6878729

SCHEMBL6878729

COC(=O)CCCCCc1cccc(C#Cc2ccc(C(O[SiH](C)C)C(C)(C)C)c(C(O[SiH](C)C)C(C)(C)C)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.37
PTGES O14684 11/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34

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
SCHEMBL6885577 0.91 FFAR1 (0.43) FFAR1
SCHEMBL6884922 0.85 HMGCR (0.33) FFAR1PTGES
SCHEMBL6878841 0.81 HDAC1 (0.40) FFAR1PTGESHDAC1HDAC6
SCHEMBL6885341 0.75 ACACB (0.43)
SCHEMBL6885094 0.74 CYP4F2 (0.42) HDAC1HDAC6PDE3BPDE3AP2RY12
SCHEMBL6885108 0.74 CYP4F2 (0.42) HDAC1HDAC6PDE3BPDE3AP2RY12
SCHEMBL29165966 0.73 FFAR1 (0.48) FFAR1HDAC1HDAC6PDE3BPDE3A
SCHEMBL6885404 0.71 CYSLTR2 (0.48) FFAR1
SCHEMBL6878730 0.71 FFAR1 (0.40) FFAR1PTGESHDAC1HDAC6PDE3B
SCHEMBL4841588 0.70 CYSLTR2 (0.42) HDAC1HDAC6PDE3BPDE3AP2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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