SCHEMBL6878730

SCHEMBL6878730

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.40
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
FFAR4 Q5NUL3 3/20 0.36
CES1 P23141 1/20 0.36
PTGES O14684 4/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35

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
SCHEMBL6885569 0.90 FFAR1 (0.46) FFAR1FFAR4
SCHEMBL6884926 0.84 FFAR1 (0.34) FFAR1FFAR4
SCHEMBL6878844 0.81 MTNR1A (0.41) FFAR1HDAC6HDAC1
SCHEMBL7777946 0.78 FFAR1 (0.35) FFAR1FFAR4
SCHEMBL6155420 0.75 ACACB (0.43)
SCHEMBL6885100 0.75 CYP4F2 (0.44) HDAC6HDAC1PDE3BPDE3AP2RY12
SCHEMBL6156487 0.71 CYSLTR2 (0.50) FFAR1FFAR4
SCHEMBL6878729 0.71 FFAR1 (0.37) FFAR1HDAC6HDAC1PTGESPDE3B
SCHEMBL29165966 0.71 FFAR1 (0.48) FFAR1HDAC6HDAC1FFAR4PDE3B
SCHEMBL22626719 0.71 FFAR1 (0.44) FFAR1PTGES

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