SCHEMBL8380669

SCHEMBL8380669

CC1CCN(C(=O)c2ccccc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
ACHE P22303 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.43
EPHX1 P07099 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL21001982 0.90 ALDH1A1 (0.62) ALDH1A1ACHESMN1; SMN2HPGDGAA
SCHEMBL22449981 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL9220428 0.81 ALDH1A1 (0.59) ALDH1A1ACHESMN1; SMN2HPGDGAA
SCHEMBL27438744 0.81 ALDH1A1 (0.55) ALDH1A1ACHESMN1; SMN2HPGDGAA
SCHEMBL1002849 0.80 ALDH1A1 (0.57) ALDH1A1ACHESMN1; SMN2HPGDGAA
SCHEMBL21001948 0.78 ACHE (0.59) ALDH1A1ACHESMN1; SMN2HPGDKMT2A
SCHEMBL21001879 0.77 ALDH1A1 (0.48) ALDH1A1ACHESMN1; SMN2HPGDGAA
SCHEMBL8778521 0.76 ALDH1A1 (0.50) ALDH1A1ACHESMN1; SMN2HPGDKMT2A
SCHEMBL17662041 0.76 ALDH1A1 (0.51) ALDH1A1ACHESMN1; SMN2HPGDGAA
SCHEMBL17491127 0.76 PIK3CD (0.41) ALDH1A1ACHEMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739880-B1 Process for the preparation of amido peroxycarboxylic acids CLARIANT GMBH (DE) 1999-03-31 EP disclosed
US-5648521-A DECYCLIZATION, OXIDATION HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-15 US disclosed
EP-0739880-A2 Process for the preparation of amido peroxycarboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-30 EP disclosed