SCHEMBL29940644

SCHEMBL29940644

CCCC(=O)OCC(OC(=O)CCC)C(OC(=O)CCC)C(Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21)OC(=O)CCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 1.00
KMT2A Q03164 7/20 1.00
HTT P42858 4/20 1.00
HAT1 O14929 4/20 1.00
RBBP7 Q16576 4/20 1.00
KDM4E B2RXH2 5/20 0.54
USP2 O75604 4/20 0.54
MAPT P10636 4/20 0.54
TDP1 Q9NUW8 3/20 0.54
RXFP1 Q9HBX9 2/20 0.54
IDO1 P14902 1/20 0.54
RECQL P46063 3/20 0.52
CASP7 P55210 3/20 0.52
CASP1 P29466 2/20 0.52
BRCA1 P38398 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TST Q16762 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL30113081 1.00 MEN1 (1.00) MEN1KMT2AHTTHAT1RBBP7
SCHEMBL182061 1.00 MEN1 (1.00) MEN1KMT2AHTTHAT1RBBP7
SCHEMBL182062 1.00 MEN1 (1.00) MEN1KMT2AHTTHAT1RBBP7
SCHEMBL22711765 1.00 MEN1 (1.00) MEN1KMT2AHTTHAT1RBBP7
SCHEMBL31029204 0.94 MEN1 (0.88) MEN1KMT2AHTTHAT1RBBP7
SCHEMBL31029243 0.91 MEN1 (0.84) MEN1KMT2AHTTHAT1RBBP7
SCHEMBL31029223 0.91 MEN1 (0.84) MEN1KMT2AHTTHAT1RBBP7
SCHEMBL19192224 0.90 MEN1 (0.82) MEN1KMT2AHTTHAT1RBBP7
SCHEMBL15908089 0.90 MEN1 (0.81) MEN1KMT2AHTTHAT1RBBP7
SCHEMBL15909982 0.89 MEN1 (0.80) MEN1KMT2AHTTHAT1RBBP7

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
CN-112770779-B Cellulose composition, tablet and orally disintegrating tablet 旭化成株式会社 2022-07-22 CN disclosed