SCHEMBL9837863

SCHEMBL9837863

CC(C)(C)c1cc(O)cc(C(C)(C)C)c1CCC(=O)OCC(COC(=O)CCc1c(C(C)(C)C)cc(O)cc1C(C)(C)C)(COC(=O)CCc1c(C(C)(C)C)cc(O)cc1C(C)(C)C)COC(=O)CCc1c(C(C)(C)C)cc(O)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.36
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 2/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
MIF P14174 1/20 0.33
TYR P14679 1/20 0.33
ALOX15 P16050 1/20 0.33
NFE2L2 Q16236 1/20 0.33
VCAM1 P19320 3/20 0.32
PKM P14618 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL5038246 0.86 KDM4E (0.46) GAAALDH1A1HSD17B10KDM4EGLA
SCHEMBL9319322 0.84 ALDH1A1 (0.40) GAAALDH1A1KMT2AAPP
SCHEMBL9067391 0.83 VCAM1 (0.46) GAAALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL30209 0.80 GAA (0.57) GAAALDH1A1KMT2AHTTLMNA
SCHEMBL25306694 0.79 DGKA (0.47) GAAALDH1A1KMT2A
SCHEMBL29140996 0.79 DGKA (0.47) GAAALDH1A1KMT2A
SCHEMBL29140974 0.79 DGKA (0.47) GAAALDH1A1KMT2A
SCHEMBL29140958 0.79 DGKA (0.47) GAAALDH1A1KMT2A
SCHEMBL29140984 0.79 DGKA (0.47) GAAALDH1A1KMT2A
SCHEMBL29923229 0.79 GAA (0.56) GAAALDH1A1KMT2AHTTLMNA

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-5034412-A Antiinflammatory agents, skin disorders, antidiabetic agents or antiatherosclerosis agents MERRELL DOW PHARMACUETICALS INC. (US) 1991-07-23 US claimed