SCHEMBL6882091

SCHEMBL6882091

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.35
PPARD Q03181 5/20 0.33
POLB P06746 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
BACE1 P56817 1/20 0.31
MRGPRX4 Q96LA9 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
SCHEMBL6882094 1.00 FFAR1 (0.35) FFAR1PPARDPOLBTDP1PPARG
SCHEMBL6566203 1.00 FFAR1 (0.35) FFAR1PPARDPOLBTDP1PPARG
SCHEMBL6882719 0.88 HDAC4 (0.32) FFAR1HDAC4HDAC6BACE1MRGPRX4
SCHEMBL6562926 0.88 HDAC4 (0.32) FFAR1HDAC4HDAC6BACE1MRGPRX4
SCHEMBL6882723 0.88 HDAC4 (0.32) FFAR1HDAC4HDAC6BACE1MRGPRX4
SCHEMBL6883493 0.86 PPARD (0.31) FFAR1PPARDPPARGPPARA
SCHEMBL6566268 0.86 PPARD (0.31) FFAR1PPARDPPARGPPARA
SCHEMBL6883496 0.86 PPARD (0.31) FFAR1PPARDPPARGPPARA
SCHEMBL6887623 0.86
SCHEMBL6887629 0.86

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-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed