SCHEMBL29329332

SCHEMBL29329332

CC(=O)Oc1cc(C(=O)O)cc(C)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
TSHR P16473 3/20 0.58
ALDH1A1 P00352 3/20 0.58
GAA P10253 1/20 0.58
RAB9A P51151 1/20 0.58
PKM P14618 3/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
ABCC4 O15439 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
TTR P02766 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CHRM2 P08172 1/20 0.46
HSP90AB1 P08238 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL8830887 0.90 KDM4E (0.63) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL16260620 0.81 CA12 (0.62) TSHRRAB9APKMHPGDHTT
SCHEMBL6915145 0.80 TPMT (0.56) KDM4ETSHRALDH1A1PKMHPGD
SCHEMBL349293 0.79 KDM4E (0.50) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL31229876 0.79 MAPT (0.49) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL2048079 0.79 MAPT (0.49) KDM4ETSHRALDH1A1GAARAB9A
3,4,5-Triacetoxybenzoic Acid SCHEMBL716891 0.79 KDM4E (0.63) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL6970527 0.78 TSHR (0.73) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL1923388 0.78 TSHR (0.73) KDM4ETSHRALDH1A1GAARAB9A
SCHEMBL1572119 0.77 TPMT (0.59) KDM4ETSHRALDH1A1PKMHPGD

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-12043833-B2 Targeted compositions ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-23 US disclosed