SCHEMBL6887533

SCHEMBL6887533

CCOCOc1cc(/C=C/c2cccc(/C=C/CCCCC(=O)OC)c2)cc(OCOCC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC3 O15379 1/20 0.40
STAT3 P40763 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
PPARA Q07869 5/20 0.38
PPARG P37231 4/20 0.38
FFAR1 O14842 1/20 0.38
PPARD Q03181 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6887538 1.00 HDAC1 (0.40) HDAC1HDAC8HDAC3STAT3HDAC4
SCHEMBL6885033 0.97 PPARG (0.39) HDAC1HDAC8HDAC3STAT3HDAC4
SCHEMBL6885040 0.97 PPARG (0.39) HDAC1HDAC8HDAC3STAT3HDAC4
SCHEMBL6887226 0.93 KDM4E (0.40) HDAC1HDAC8HDAC3STAT3HDAC4
SCHEMBL6887232 0.93 KDM4E (0.40) HDAC1HDAC8HDAC3STAT3HDAC4
SCHEMBL6156403 0.89 PPARA (0.47) HDAC1HDAC8HDAC3STAT3HDAC4
SCHEMBL6156397 0.89 PPARA (0.47) HDAC1HDAC8HDAC3STAT3HDAC4
SCHEMBL6155450 0.86 PPARA (0.45) CYSLTR2CYSLTR1PPARAPPARGFFAR1
SCHEMBL6155441 0.86 PPARA (0.45) CYSLTR2CYSLTR1PPARAPPARGFFAR1
SCHEMBL6885253 0.85 CYP4F2 (0.45) HDAC1HDAC8HDAC3STAT3HDAC4

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