SCHEMBL1740662

SCHEMBL1740662

CCOC(=O)C1CN(CCOc2cnc3ccc(OC)cc3n2)CC[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.42
CPB1 P15086 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
EGFR P00533 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 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
SCHEMBL622791 1.00 LTA4H (0.42) LTA4HCPB1ALDH1A1MEN1KMT2A
SCHEMBL622437 0.87 CPB1 (0.40) CPB1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL622780 0.82 FGFR1 (0.42) LTA4HALDH1A1MEN1KMT2ANPSR1
SCHEMBL16566545 0.78 TSHR (0.55) ALDH1A1MEN1KMT2ANPSR1TAAR1
SCHEMBL3792033 0.77 KMT2A (0.41) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL620001 0.77 KMT2A (0.41) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL708006 0.73 CPB1 (0.56) LTA4HCPB1ALDH1A1KDM4E
SCHEMBL15662772 0.73 LTA4H (0.51) LTA4HALDH1A1KMT2ANPSR1KDM4E
SCHEMBL709053 0.72 CPB1 (0.62) LTA4HCPB1ALDH1A1
SCHEMBL706633 0.72 CPB1 (0.62) LTA4HCPB1ALDH1A1

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-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 WO disclosed