SCHEMBL13174882

SCHEMBL13174882

CC(N)C(=O)OC[C@@H]1CC=CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM4E B2RXH2 8/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ MAPK1 P28482 2/20 0.37
▸ CDK1 P06493 2/20 0.36
▸ CCNB1 P14635 2/20 0.36
▸ CCNA2 P20248 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CCNA1 P78396 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL11336694 0.88 KDM4E (0.42) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1
SCHEMBL31412826 0.85 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1
SCHEMBL28742048 0.85 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1
SCHEMBL19695373 0.85 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1
SCHEMBL19708299 0.85 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1
SCHEMBL17616841 0.83 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1
SCHEMBL19708297 0.81 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1
SCHEMBL19695374 0.80 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1
SCHEMBL4583813 0.80 MAPK1 (0.40) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1
SCHEMBL16244278 0.80 CDK1 (0.43) SMN1; SMN2KDM4EALDH1A1TDP1MAPK1

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
EP-2223929-A1 GAMBOGIC GLYCOSIDE DERIVATIVES AND ANALOGS, THE PREPARATION AND THE APPLICATION THEREOF Liaoning Lifeng Scientific&Technology Development Company Ltd. (CN) 2010-09-01 — — EP disclosed
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