SCHEMBL3244080

SCHEMBL3244080

CC(OC(=O)NC(C)(C)C)[C@@H]1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.39
CPB2 Q96IY4 2/20 0.39
SLC6A1 P30531 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SLC6A11 P48066 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRK1 P41145 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CYP2D6 P10635 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CCR8 P51685 1/20 0.32
CTSK P43235 1/20 0.32
SSTR4 P31391 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL19064206 0.91 BRPF1 (0.32) SLC6A1SMN1; SMN2SLC6A11LMNASLC6A13
SCHEMBL27685321 0.83 CTSK (0.39) SMN1; SMN2LMNAKDM4EMAPTKMT2A
SCHEMBL25281562 0.81 POLB (0.35) SMN1; SMN2LMNAMAPTKMT2AATM
SCHEMBL27772357 0.81 CPN1 (0.42) CPN1CPB2SLC6A1SMN1; SMN2SLC6A11
SCHEMBL6050056 0.79 CPN1 (0.45) CPN1CPB2SLC6A1SMN1; SMN2SLC6A11
SCHEMBL6709446 0.77 SMN1; SMN2 (0.43) CPN1CPB2SLC6A1SMN1; SMN2SLC6A11
SCHEMBL6443600 0.77 SMN1; SMN2 (0.43) CPN1CPB2SLC6A1SMN1; SMN2SLC6A11
SCHEMBL28202522 0.74 CPN1 (0.41) CPN1CPB2SLC6A1SMN1; SMN2SLC6A11
SCHEMBL17513413 0.73 SLC6A1 (0.37) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
SCHEMBL3698542 0.73 SLC6A1 (0.37) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA

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-2182809-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS Helicon Therapeutics, Inc. (US) 2010-05-12 EP disclosed
WO-2009029632-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2009-03-05 WO disclosed