SCHEMBL29329017

SCHEMBL29329017

CCc1cncc(C(=O)OCc2ccccc2)c1CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
TDP1 Q9NUW8 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
TSHR P16473 2/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 4/20 0.52
POLB P06746 2/20 0.52
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
STAT1 P42224 1/20 0.52
ATM Q13315 1/20 0.52
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49

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
SCHEMBL13469252 0.80 ALDH1A1 (0.67) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL25493791 0.77 ALDH1A1 (0.51) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL29286546 0.77 TDP1 (0.63) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL8124275 0.77 TDP1 (0.58) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL10309785 0.77 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL20201211 0.75 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL8548565 0.75 TDP1 (0.57) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL25483062 0.75 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL10174681 0.75 POLB (0.54) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL50441 0.75 ALDH1A1 (0.89) ALDH1A1TDP1L3MBTL1TSHRCYP3A4

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