SCHEMBL3822993

SCHEMBL3822993

CC(C)C[C@H](C(=O)N[C@@H](CC1CC1)C(=O)O)N(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.44
KMT2A Q03164 2/20 0.43
ATM Q13315 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.42
MMP3 P08254 1/20 0.41
CTSL P07711 1/20 0.41
LTA4H P09960 1/20 0.40
MME P08473 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
SCHEMBL3819738 0.86 REN (0.43) RENMMP3CTSLMME
SCHEMBL3817673 0.81 JAK2 (0.44) KMT2AATMMEN1
SCHEMBL3822986 0.77 MAPK1 (0.50) RENKMT2AATMMEN1MAPK1
SCHEMBL4968073 0.76 MME (0.59) KMT2AMEN1MMP3CTSLLTA4H
SCHEMBL7330230 0.75 LTA4H (0.43) KMT2AMEN1LTA4HMME
SCHEMBL31512916 0.75 REN (0.59) RENMAPK1MME
SCHEMBL29469354 0.75 CTSS (0.50) RENKMT2AATMMEN1MAPK1
SCHEMBL29651391 0.74 CTSS (0.60) RENKMT2AATMMEN1MAPK1
SCHEMBL28269133 0.74 CTSS (0.60) RENKMT2AATMMEN1MAPK1
SCHEMBL28269137 0.74 CTSS (0.60) RENKMT2AATMMEN1MAPK1

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