SCHEMBL4680818

SCHEMBL4680818

COC(=O)C(NC(=O)OCc1ccccn1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 1/20 0.48
PGR P06401 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC1 Q13547 2/20 0.47
ADAMTS4 O75173 1/20 0.46
ELANE P08246 2/20 0.46

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
SCHEMBL3029779 1.00 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL3033874 0.90 NPC1 (0.59) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL4675990 0.90 NPC1 (0.59) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL7304462 0.89 RAB9A (0.52) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL7304466 0.89 RAB9A (0.52) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL6445930 0.88 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL6445922 0.88 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAMAPT
Lithium Ion SCHEMBL6445927 0.87 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL6841164 0.85 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL6841163 0.85 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2LMNAMAPT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997459-B1 Intermediates for preparing retroviral protease inhibiting compounds ABBOTT LAB (US) 2008-11-26 EP disclosed
EP-0839798-B1 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LAB (US) 2005-08-17 EP disclosed
EP-0486948-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2000-10-04 EP disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5990135-A FOR TREATING A RETROVIRAL INFECTION SUCH AS HIV INFECTION; FOR EXAMPLE 5S-N-((2-PYRIDINYL)METHOXYCARBONYL)VALINYLAMINO-2-((N-3 -PYRIDINYL)METHOXYCARBONYL)AMINO-4S-HYDROXY-1,6-DIPHENYL-2-AZAHEXANE AND OTHER COMPOUNDS OF GIVEN FORMULA ABBOTT LABORATORIES (US) 1999-11-23 US disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
EP-0402646-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 1998-07-22 EP disclosed
EP-0839798-A2 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LABORATORIES (US) 1998-05-06 EP disclosed
US-5670675-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-09-23 US disclosed
US-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
EP-0683772-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1995-11-29 EP disclosed
US-5461067-A For HIV infections ABBOTT LABORATORIES (US) 1995-10-24 US disclosed
EP-0683772-A4 RETROVIRAL PROTEASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1995-09-27 EP disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
WO-1994019332-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-09-01 WO disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed