SCHEMBL8315231

SCHEMBL8315231

CC(C)(C)OC(=O)OC1CCCNC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.38
SLC6A11 P48066 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
ROCK1 Q13464 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31
MAPK1 P28482 1/20 0.31
OPRK1 P41145 1/20 0.31
CNR2 P34972 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
SCHEMBL628376 0.82 ELANE (0.32) CHRNB2CHRNA4
SCHEMBL6498943 0.81 BTK (0.35) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL26635785 0.80 EPHX1 (0.41) SMN1; SMN2
SCHEMBL26635790 0.80 BTK (0.39) SMN1; SMN2
SCHEMBL27657052 0.79 SLC6A1 (0.40) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL27744409 0.79 SLC6A1 (0.40) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL27504346 0.79 SLC6A1 (0.40) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL10868234 0.79 SLC6A1 (0.40) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL7463332 0.79 TPSAB1 (0.35) TSHRTPSAB1TPSD1TPSG1
SCHEMBL11591027 0.78 EPHX1 (0.44) SMN1; SMN2

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-0623615-B1 Substituted 1-phenyl-oxazolidin-2-one derivatives, their preparation and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 1999-06-30 EP disclosed
EP-0623615-A1 Adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1994-11-09 EP disclosed