SCHEMBL3817673

SCHEMBL3817673

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HSD11B1 P28845 1/20 0.42
AKT1 P31749 3/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
ATM Q13315 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
AGTR1 P30556 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38

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
SCHEMBL9124694 0.83 L3MBTL1 (0.48) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL3397689 0.83 L3MBTL1 (0.48) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL20576145 0.83 L3MBTL1 (0.48) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL8472422 0.83 ALDH1A1 (0.48) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL18359864 0.83 ALDH1A1 (0.48) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL8472423 0.83 ALDH1A1 (0.48) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL27880889 0.82 L3MBTL1 (0.45) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL3092249 0.82 L3MBTL1 (0.45) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL7276228 0.82 L3MBTL1 (0.47) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL11018000 0.82 L3MBTL1 (0.47) L3MBTL1ALDH1A1LMNAPOLBHSD17B10

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