SCHEMBL7393196

SCHEMBL7393196

CN1CCNCC1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.33
PARP1 P09874 1/20 0.33
CASP3 P42574 1/20 0.32
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.30
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL1546601 0.81 CHRNB2 (0.39) MMP1MMP3MMP7MMP9MMP13
SCHEMBL1546602 0.81 CHRNB2 (0.39) MMP1MMP3MMP7MMP9MMP13
SCHEMBL30275098 0.81 CHRNB2 (0.39) MMP1MMP3MMP7MMP9MMP13
SCHEMBL31257124 0.81 PARP1 (0.37) HRH3PARP1CASP3MAPK1
SCHEMBL6965933 0.81 PARP1 (0.32) HRH3PARP1CASP3
SCHEMBL376484 0.81 PARP1 (0.37) HRH3PARP1CASP3MAPK1
SCHEMBL2584375 0.81 PARP1 (0.44) PARP1USP2SMN1; SMN2MAPK1
SCHEMBL18673224 0.81 PARP1 (0.44) PARP1USP2SMN1; SMN2MAPK1
SCHEMBL5389458 0.80 PARP1 (0.33) HRH3PARP1
SCHEMBL27286359 0.80 CHRNB2 (0.33) MMP1MMP3MMP7MMP9MMP13

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581789-A1 NOVEL 2-SPIROCYCLOPROPYL CEPHALOSPORIN SULFONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF SYNPHAR LABORATORIES INC. (CA) 1994-02-09 EP disclosed
US-5264430-A Enzyme inhibitor, antiinflammatory agents, treats emphysema, cystic fibrosis and arthritis SYNPHAR LABORATORIES, INC. (CA) 1993-11-23 US disclosed
US-5264429-A Enzyme inhibitor, antiinflammatory agents, treats emphysema, cystic fibrosis and arthritis SYNPHAR LABORATORIES, INC. (CA) 1993-11-23 US disclosed
WO-1992018474-A2 NOVEL 2-SPIROCYCLOPROPYL CEPHALOSPORIN SULFONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF SYNPHAR LABORATORIES, INC. (CA) 1992-10-29 WO disclosed