SCHEMBL29280655

SCHEMBL29280655

CC(=O)OC(CCl)CNCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ATM Q13315 2/20 0.44
▸ ANPEP P15144 1/20 0.43
▸ CYP2D6 P10635 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39

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
SCHEMBL11674847 0.79 MAPT (0.47) SMN1; SMN2ATMALDH1A1MEN1KMT2A
SCHEMBL6153940 0.78 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPT
SCHEMBL6153937 0.78 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPT
SCHEMBL6154638 0.78 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPT
Acetic Acid SCHEMBL29280656 0.77 BCHE (0.54) SMN1; SMN2ANPEPCYP2D6ALDH1A1MEN1
SCHEMBL29280657 0.77 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2920578 0.76 MEN1 (0.40) SMN1; SMN2ATMANPEPCYP2D6ALDH1A1
SCHEMBL14838657 0.75 DUT (0.42) ALDH1A1MMP12
SCHEMBL11249744 0.75 ALDH1A1 (0.49) ALDH1A1KMT2AMMP12CA1CA2
SCHEMBL9207169 0.75 ALDH1A1 (0.49) ALDH1A1KMT2AMMP12CA1CA2

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-117776997-A Preparation method of nitrogen-protected 3-hydroxy azetidine 风火轮(上海)生物科技有限公司 2024-03-29 — — CN disclosed
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