SCHEMBL29022286

SCHEMBL29022286

CC(C)(C)OC(=O)N1CCOCC1c1n[nH]c(=O)o1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RECQL P46063 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
PARP1 P09874 1/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
EPHX2 P34913 1/20 0.34
HTT P42858 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL29022283 1.00 ALDH1A1 (0.40) ALDH1A1USP2SMN1; SMN2TSHRMEN1
SCHEMBL13567855 0.84 ALDH1A1 (0.56) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL15924244 0.79 ALDH1A1 (0.49) ALDH1A1USP2SMN1; SMN2TSHRMEN1
SCHEMBL15924246 0.79 ALDH1A1 (0.49) ALDH1A1USP2SMN1; SMN2TSHRMEN1
SCHEMBL29022271 0.77 USP2 (0.39) ALDH1A1USP2SMN1; SMN2TSHRMEN1
SCHEMBL29022267 0.77 USP2 (0.39) ALDH1A1USP2SMN1; SMN2TSHRMEN1
SCHEMBL29022329 0.75 USP2 (0.40) ALDH1A1USP2SMN1; SMN2TSHRMEN1
SCHEMBL29022331 0.75 USP2 (0.40) ALDH1A1USP2SMN1; SMN2TSHRMEN1
SCHEMBL27649003 0.75 USP2 (0.40) ALDH1A1USP2SMN1; SMN2TSHRMEN1
SCHEMBL3557141 0.75 MALT1 (0.38) ALDH1A1USP2SMN1; SMN2TSHRMEN1

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
CN-107793409-B Dihydropyrimidine compound and application thereof in medicine 广东东阳光药业有限公司 2022-09-27 CN disclosed