SCHEMBL6885253

SCHEMBL6885253

CCOCOc1cc(C=Cc2cccc(CCCCC(=O)OC)c2)cc(OCOCC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
PPARA Q07869 3/20 0.41
PPARG P37231 3/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC3 O15379 1/20 0.40
STAT3 P40763 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
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.39

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
SCHEMBL6885248 1.00 CYP4F2 (0.45) CYP4F2CYP4A11PPARAPPARGKDM4E
SCHEMBL6887506 0.99 CYP4F2 (0.44) CYP4F2CYP4A11PPARAPPARGKDM4E
SCHEMBL6887499 0.99 CYP4F2 (0.44) CYP4F2CYP4A11PPARAPPARGKDM4E
SCHEMBL6888527 0.93 CYP4F2 (0.41) CYP4F2CYP4A11PPARAPPARGKDM4E
SCHEMBL6888522 0.93 CYP4F2 (0.41) CYP4F2CYP4A11PPARAPPARGKDM4E
SCHEMBL6886124 0.92 PPARA (0.41) CYP4F2CYP4A11PPARAPPARGKDM4E
SCHEMBL6886116 0.92 PPARA (0.41) CYP4F2CYP4A11PPARAPPARGKDM4E
SCHEMBL6156488 0.89 PPARA (0.47) PPARAPPARGKDM4EALDH1A1SMN1; SMN2
SCHEMBL6156496 0.89 PPARA (0.47) PPARAPPARGKDM4EALDH1A1SMN1; SMN2
SCHEMBL6155173 0.88 PPARA (0.48) PPARAPPARGKDM4EALDH1A1SMN1; SMN2

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