SCHEMBL3819738

SCHEMBL3819738

CC(C)C[C@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)O)N(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.43
MME P08473 3/20 0.42
MMP1 P03956 2/20 0.40
MMP3 P08254 2/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
CTSL P07711 1/20 0.39
MMP2 P08253 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39

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
SCHEMBL3822993 0.86 REN (0.44) RENMMEMMP3CTSL
SCHEMBL4968073 0.79 MME (0.59) MMEMMP1MMP3CTSLMMP2
SCHEMBL7330230 0.78 LTA4H (0.43) MMEALDH1A1ACE
SCHEMBL31512916 0.78 REN (0.59) RENMMEACECPA1ACE2
SCHEMBL29469354 0.78 CTSS (0.50) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL3819735 0.76 PSEN1 (0.48) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL27620369 0.74 MEN1 (0.44) MMP1MMP3PSEN1PSEN2APH1B
SCHEMBL3107911 0.74 MEN1 (0.44) MMP1MMP3PSEN1PSEN2APH1B
SCHEMBL27620368 0.74 MEN1 (0.44) MMP1MMP3PSEN1PSEN2APH1B
SCHEMBL8472422 0.74 ALDH1A1 (0.48) ALDH1A1ACE

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-1625153-B1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2009-08-26 EP disclosed
EP-1625153-A1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES Bayer HealthCare AG (DE) 2006-02-15 EP disclosed
WO-2004099239-A1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES BAYER HEALTHCARE AG (DE) 2004-11-18 WO disclosed