SCHEMBL8960315

SCHEMBL8960315

CC(C)CC(=O)N1C(=O)C(C)(C)C[C@H]1C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTPN1 P18031 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL8960581 0.71 NAAA (0.48) SMN1; SMN2POLBL3MBTL1
SCHEMBL15241712 0.69 NAAA (0.49) SMN1; SMN2POLBNPSR1L3MBTL1
SCHEMBL8960176 0.69
SCHEMBL20221646 0.67 SMN1; SMN2 (0.59) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL672908 0.65 SMN1; SMN2 (0.96) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL16885251 0.63 SMN1; SMN2 (0.53) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL16885249 0.63 SMN1; SMN2 (0.53) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL10625541 0.63 KMT2A (0.33) SMN1; SMN2
SCHEMBL18731252 0.62 SMN1; SMN2 (0.52) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL6159024 0.61 PIK3CD (0.53) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693058-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL AUXILIARIES OXFORD ASYMMETRY LIMITED (GB) 1996-01-24 EP disclosed
WO-1994024104-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL AUXILIARIES OXFORD ASYMMETRY LIMITED (GB) 1994-10-27 WO disclosed