SCHEMBL6848058

SCHEMBL6848058

O=C(OCc1ccccc1)C1CN(C(=O)O)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2C19 P33261 1/20 0.50
PREP P48147 3/20 0.49
FKBP1A P62942 2/20 0.49
KLK7 P49862 1/20 0.47
KLK5 Q9Y337 1/20 0.47
CTRB1 P17538 1/20 0.47

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
SCHEMBL27602555 0.92 SMN1; SMN2 (0.56) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL27677079 0.92 SMN1; SMN2 (0.56) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL19120482 0.87 PDK1 (0.52) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL4676650 0.87 PDK1 (0.54) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL28913512 0.86 PDK1 (0.51) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL2419018 0.86 PDK1 (0.51) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL8487526 0.86 SMN1; SMN2 (0.54) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL781549 0.85 SMN1; SMN2 (0.60) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL7647340 0.85 SMN1; SMN2 (0.60) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL631581 0.85 FKBP1A (0.58) SMN1; SMN2NPC1RAB9ACYP2C19PREP

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-0874852-B1 OXAZOLIDINONE ANTIBACTERIAL AGENT WITH TRICYCLIC SUBSTITUENTS UPJOHN CO (US) 2004-03-31 EP disclosed
EP-0874852-A1 OXAZOLIDINONE ANTIBACTERIAL AGENT WITH TRICYCLIC SUBSTITUENTS PHARMACIA & UPJOHN COMPANY (US) 1998-11-04 EP disclosed
WO-1997019089-A1 OXAZOLIDINONE ANTIBACTERIAL AGENT WITH TRICYCLIC SUBSTITUENTS PHARMACIA & UPJOHN COMPANY (US) 1997-05-29 WO disclosed