SCHEMBL6887226

SCHEMBL6887226

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
AKT1 P31749 1/20 0.38
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
ESR1 P03372 2/20 0.38
AHR P35869 1/20 0.38
HDAC3 O15379 1/20 0.37
STAT3 P40763 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL6887232 1.00 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2CYP4F2CYP4A11
SCHEMBL6885040 0.94 PPARG (0.39) KDM4EALDH1A1SMN1; SMN2CYP4F2CYP4A11
SCHEMBL6885033 0.94 PPARG (0.39) KDM4EALDH1A1SMN1; SMN2CYP4F2CYP4A11
SCHEMBL6887538 0.93 HDAC1 (0.40) KDM4EALDH1A1SMN1; SMN2CYP4F2CYP4A11
SCHEMBL6887533 0.93 HDAC1 (0.40) KDM4EALDH1A1SMN1; SMN2CYP4F2CYP4A11
SCHEMBL6155578 0.89 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL6155585 0.89 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL6155450 0.84 PPARA (0.45) KDM4EALDH1A1SMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL6155441 0.84 PPARA (0.45) KDM4EALDH1A1SMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL6156403 0.83 PPARA (0.47) KDM4EALDH1A1SMN1; SMN2CYSLTR2CYSLTR1

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