SCHEMBL6954392

SCHEMBL6954392

CCC[C@H](C(N)=O)C(CC(C)C)C(=O)N1CCCC(C(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XPNPEP2 O43895 2/20 0.43
ACE P12821 2/20 0.43
LMNA P02545 1/20 0.41
MMP1 P03956 3/20 0.39
MMP2 P08253 3/20 0.39
MMP8 P22894 3/20 0.39
MMP3 P08254 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PRSS1 P07477 2/20 0.38
TMPRSS15 P98073 2/20 0.38
APP P05067 4/20 0.37
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
F10 P00742 1/20 0.35
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7068510 1.00 XPNPEP2 (0.43) XPNPEP2ACELMNAMMP1MMP2
SCHEMBL6954395 1.00 XPNPEP2 (0.43) XPNPEP2ACELMNAMMP1MMP2
SCHEMBL6956637 0.92 LMNA (0.50) LMNAMMP1MMP2MMP8MMP3
SCHEMBL7069250 0.92 LMNA (0.50) LMNAMMP1MMP2MMP8MMP3
SCHEMBL6956635 0.92 LMNA (0.50) LMNAMMP1MMP2MMP8MMP3
SCHEMBL7065389 0.86 HPGD (0.44) LMNAMMP1MMP2MMP8MMP3
SCHEMBL7067800 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL6955027 0.86 HPGD (0.44) LMNAMMP1MMP2MMP8MMP3
SCHEMBL6954284 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL6954285 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; 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-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