SCHEMBL29329045

SCHEMBL29329045

COCc1cc(C)cc(COC)c1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
PRKCE Q02156 3/20 0.36
MYLK Q15746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
PRKCG P05129 1/20 0.36
MAPT P10636 1/20 0.36
PRKCA P17252 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.33
ACHE P22303 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PDE3B Q13370 1/20 0.30

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
SCHEMBL16592917 0.84 PRKCE (0.35) ALDH1A1PRKCEMYLKTDP1MEN1
SCHEMBL16592864 0.79 GABRA1 (0.35) ALDH1A1PRKCEMYLKTDP1MEN1
SCHEMBL16592890 0.79 GABRA1 (0.37) ALDH1A1PRKCEMYLKTDP1MEN1
SCHEMBL16592937 0.77 PRKCE (0.42) ALDH1A1PRKCEMYLKTDP1MEN1
SCHEMBL28569210 0.77 TDP1 (0.41) ALDH1A1PRKCEMYLKTDP1MEN1
SCHEMBL26137718 0.75 TRPA1 (0.47) ALDH1A1TDP1LMNAKDM4E
SCHEMBL24469036 0.74 SHBG (0.33) ALDH1A1LMNA
SCHEMBL2115983 0.74 ALDH1A1 (0.52) ALDH1A1PRKCEMYLKTDP1MEN1
SCHEMBL10582835 0.74 ACHE (0.46) ALDH1A1PRKCEMYLKTDP1MEN1
SCHEMBL13696445 0.73 ALDH1A1 (0.36) ALDH1A1PRKCEMYLKTDP1MEN1

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