SCHEMBL8220702

SCHEMBL8220702

CC(C)CCC(=O)N1C(=O)OCC1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.50
IL6ST P40189 5/20 0.49
STAT3 P40763 1/20 0.48
NAAA Q02083 3/20 0.38
IDH1 O75874 4/20 0.34
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
FAAH O00519 1/20 0.32
FOS P01100 1/20 0.32
JUN P05412 1/20 0.32
CA1 P00915 1/20 0.32
CYP2D6 P10635 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
SCHEMBL7363549 1.00 PIK3CD (0.50) PIK3CDIL6STSTAT3NAAAIDH1
SCHEMBL6450650 1.00 PIK3CD (0.50) PIK3CDIL6STSTAT3NAAAIDH1
SCHEMBL8500845 0.86 IL6ST (0.56) PIK3CDIL6STSTAT3NAAAIDH1
SCHEMBL8500848 0.86 IL6ST (0.56) PIK3CDIL6STSTAT3NAAAIDH1
SCHEMBL6159017 0.84 PIK3CD (0.53) PIK3CDIL6STSTAT3NAAAIDH1
SCHEMBL6159024 0.84 PIK3CD (0.53) PIK3CDIL6STSTAT3NAAAIDH1
SCHEMBL3838379 0.84 IL6ST (0.64) PIK3CDIL6STSTAT3NAAAIDH1
SCHEMBL15619064 0.84 IL6ST (0.64) PIK3CDIL6STSTAT3NAAAIDH1
SCHEMBL3629926 0.83 IL6ST (0.52) PIK3CDIL6STSTAT3NAAAIDH1
SCHEMBL16000130 0.83 IL6ST (0.52) PIK3CDIL6STSTAT3NAAAIDH1

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-0621270-B1 Piperazine derivatives as collagenase inhibitors SANKYO CO (JP) 2000-04-12 EP disclosed
US-5643908-A ANGIOGENESIS INHIBITOR, ANTITUMOR SANKYO COMPANY, LIMITED (JP) 1997-07-01 US disclosed
EP-0621270-A1 COLLAGENASE INHIBITOR SANKYO COMPANY LIMITED (JP) 1994-10-26 EP disclosed