SCHEMBL6946636

SCHEMBL6946636

CCC[C@H](C(N)=O)C(CC(C)C)C(=O)N1CCC(C(=O)OCC)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.46
GAA P10253 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 8/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LIPE Q05469 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL7068432 1.00 MAPT (0.49) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL6946641 1.00 MAPT (0.49) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL6954285 0.88 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2LIPEPOLB
SCHEMBL7067800 0.88 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2LIPEPOLB
SCHEMBL6954284 0.88 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2LIPEPOLB
SCHEMBL6956004 0.87 GAA (0.44) GAAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7069426 0.87 GAA (0.44) GAAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6956005 0.87 GAA (0.44) GAAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7065490 0.83 DPP4 (0.44) POLB
SCHEMBL7065488 0.83 DPP4 (0.44) POLB

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-1268454-A1 SUCCINOYLAMINO HETEROCYCLES AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-01-02 EP disclosed
WO-2001074796-A1 SUCCINOYLAMINO HETEROCYCLES AS INHIBITORS OF Aβ PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-10-11 WO disclosed