SCHEMBL9769837

SCHEMBL9769837

CCC(C)(C)C1CCCC(c2ccc(O)c(C(=O)O)c2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.59
CNR2 P34972 4/20 0.39
STAT3 P40763 3/20 0.37
PTGS2 P35354 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TNF P01375 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSPD1 P10809 1/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDR P35968 1/20 0.36
BRCA1 P38398 1/20 0.36
RECQL P46063 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL9769833 0.88 ACMSD (0.65) ACMSDSTAT3PTGS2KDM4EMEN1
SCHEMBL9769937 0.78 ACMSD (0.70) ACMSDSTAT3PTGS2KDM4EMEN1
SCHEMBL11777656 0.77 ACMSD (0.72) ACMSDCNR2STAT3PTGS2KDM4E
SCHEMBL9769869 0.77 ACMSD (0.72) ACMSDSTAT3PTGS2KDM4EMEN1
SCHEMBL2533359 0.74 ACMSD (1.00) ACMSDSTAT3PTGS2KDM4EMEN1
SCHEMBL27965931 0.74 ACMSD (1.00) ACMSDSTAT3PTGS2KDM4EMEN1
SCHEMBL27881571 0.73 ACMSD (0.86) ACMSDPTGS2KDM4EMEN1ALDH1A1
SCHEMBL9769884 0.72 ACMSD (0.60) ACMSDSTAT3KLKB1CTSBMMP9
SCHEMBL9769797 0.71 ACMSD (0.58) ACMSDSTAT3PTGS2KDM4EMEN1
SCHEMBL11773568 0.70 ACMSD (0.65) ACMSDPTGS2KDM4EMEN1ALDH1A1

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-4999333-A For facsimile and thermal printing FUJI PHOTO FILM CO., LTD. (JP) 1991-03-12 US disclosed