SCHEMBL7361304

SCHEMBL7361304

[Li]c1cccn1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
BCHE P06276 1/20 0.45
BUB1 O43683 1/20 0.41
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TNK2 Q07912 1/20 0.35
MAPK1 P28482 1/20 0.35
FAAH O00519 1/20 0.34
STS P08842 2/20 0.34
ABCB1 P08183 1/20 0.34
HTR6 P50406 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL8264796 0.82 HSP90AA1 (0.46) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL15417736 0.80 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL4916320 0.80 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL163016 0.80 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL24914436 0.79 HSP90AA1 (0.52) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL13180192 0.79 HSP90AA1 (0.46) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL4076931 0.79 HSP90AA1 (0.46) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL2616414 0.79 HSP90AA1 (0.46) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL19204908 0.79 HSP90AA1 (0.46) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL19974442 0.78 HSP90AA1 (0.49) HSP90AA1HSP90AB1BCHEBUB1PIK3R1

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-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed