SCHEMBL8864744

SCHEMBL8864744

C=CCOC(=O)N1CC[C@@H](S)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
NR1D1 P20393 1/20 0.36
TEAD1 P28347 1/20 0.35
TEAD3 Q99594 1/20 0.35
GAA P10253 2/20 0.35
CHRM1 P11229 1/20 0.34
PARP1 P09874 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ERN1 O75460 5/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL8014230 1.00 GPR119 (0.38) GPR119LMNAMAPK1RAB9ANR1D1
SCHEMBL6397569 1.00 GPR119 (0.38) GPR119LMNAMAPK1RAB9ANR1D1
SCHEMBL6401112 0.90 GPR119 (0.41) GPR119LMNAMAPK1RAB9ANR1D1
SCHEMBL6398512 0.86 LMNA (0.37) GPR119LMNAMAPK1RAB9AGAA
SCHEMBL8865061 0.82 GPR119 (0.38) GPR119LMNAMAPK1RAB9ANR1D1
SCHEMBL6402328 0.82 GPR119 (0.38) GPR119LMNAMAPK1RAB9ANR1D1
SCHEMBL8864939 0.82 GPR119 (0.38) GPR119LMNAMAPK1RAB9ANR1D1
SCHEMBL2932359 0.81 GAA (0.38) GPR119LMNAMAPK1RAB9ANR1D1
SCHEMBL2087756 0.81 GAA (0.38) GPR119LMNAMAPK1RAB9ANR1D1
SCHEMBL9020481 0.79 NR1D1 (0.36) GPR119LMNAMAPK1RAB9ANR1D1

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
US-5672701-A 4-substituted alkyl carbapenem antibiotics BRISTOL-MYERS SQUIBB COMPANY (US) 1997-09-30 US disclosed
CN-1030918-C 4-substituted alkyl carbapenem antibiotics BRISTOL MYERS SQUIBB CO (US) 1996-02-07 CN disclosed
EP-0433759-A1 4-Substituted alkyl carbapenem antibiotics Bristol-Myers Squibb Company (US) 1991-06-26 EP disclosed