SCHEMBL7573284

SCHEMBL7573284

CCC(CCC(=O)O)COc1ccc(OC)cc1C=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
RAB9A P51151 1/20 0.56
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
ERN1 O75460 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.40
ALDH1A1 P00352 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
TUBB1 Q9H4B7 1/20 0.39
HSD17B10 Q99714 2/20 0.39
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
JUN P05412 2/20 0.39
NFKB1 P19838 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
FOS P01100 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
SCHEMBL7165687 0.78 PPARA (0.55) KDM4ERAB9ACYSLTR2CYSLTR1ERN1
SCHEMBL2559891 0.77 KDM4E (0.59) KDM4ERAB9AERN1ALDH1A1PTGDR2
SCHEMBL5882010 0.77 KDM4E (0.64) KDM4ERAB9AERN1ALDH1A1PTGDR2
SCHEMBL9009618 0.77 KDM4E (0.44) KDM4ERAB9AALDH1A1TUBB1HSD17B10
SCHEMBL15331122 0.74 KDM4E (0.55) KDM4ERAB9AERN1ALDH1A1PTGDR2
SCHEMBL118322 0.74 KDM4E (0.54) KDM4ERAB9AERN1ALDH1A1TUBB1
SCHEMBL20488634 0.74 KDM4E (0.59) KDM4ERAB9AERN1ALDH1A1TUBB1
SCHEMBL27500190 0.72 KDM4E (0.58) KDM4ERAB9ACYSLTR2CYSLTR1ERN1
SCHEMBL37992 0.72 TDP1 (0.45) KDM4ERAB9ACYSLTR2CYSLTR1ALDH1A1
SCHEMBL2560931 0.72 KDM4E (0.55) KDM4ERAB9AERN1ALDH1A1TUBB1

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
EP-1266881-A1 PROCESS FOR PRODUCING CYCLIC COMPOUND Takeda Chemical Industries, Ltd. (JP) 2002-12-18 EP disclosed