SCHEMBL22129583

SCHEMBL22129583

C=CC(C)C(=O)OC(=O)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KMT2A Q03164 7/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 3/20 0.48
LMNA P02545 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.45
THRB P10828 1/20 0.44
APP P05067 1/20 0.44
GAA P10253 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
ATM Q13315 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL27851778 0.83 ALDH1A1 (0.62) ALDH1A1KMT2AL3MBTL1MAPTLMNA
SCHEMBL811679 0.82 ALDH1A1 (0.60) ALDH1A1KMT2AL3MBTL1MAPTLMNA
SCHEMBL13174973 0.80 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTLMNATDP1
SCHEMBL25288322 0.79 ALDH1A1 (0.59) ALDH1A1KMT2AL3MBTL1MAPTLMNA
SCHEMBL27995293 0.78 ALDH1A1 (0.55) ALDH1A1KMT2AL3MBTL1MAPTLMNA
SCHEMBL30659698 0.78 ALDH1A1 (0.71) ALDH1A1KMT2AL3MBTL1MAPTLMNA
SCHEMBL2491556 0.78 ALDH1A1 (0.71) ALDH1A1KMT2AL3MBTL1MAPTLMNA
SCHEMBL31648307 0.78 ALDH1A1 (0.71) ALDH1A1KMT2AL3MBTL1MAPTLMNA
SCHEMBL5340249 0.77 ALDH1A1 (0.57) ALDH1A1KMT2AL3MBTL1MAPTLMNA
Ammonia Solution, Strong SCHEMBL28264184 0.76 ALDH1A1 (0.69) ALDH1A1KMT2AL3MBTL1MAPTLMNA

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
WO-2020129736-A1 RESIN COMPOSITION FOR OPTICAL MOLDING クラレノリタケデンタル株式会社 2020-06-25 WO disclosed