SCHEMBL6450744

SCHEMBL6450744

CC(C)C[C@H](CC(=O)OC(C)(C)C)C(=O)N1C(=O)OC[C@H]1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.45
STAT3 P40763 1/20 0.42
PIK3CD O00329 1/20 0.39
IDH1 O75874 2/20 0.36
MLYCD O95822 10/20 0.34
PLA2G10 O15496 1/20 0.33
PLA2G5 P39877 1/20 0.33
CNR2 P34972 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
SCHEMBL8211410 1.00 IL6ST (0.45) IL6STSTAT3PIK3CDIDH1MLYCD
SCHEMBL8211407 1.00 IL6ST (0.45) IL6STSTAT3PIK3CDIDH1MLYCD
SCHEMBL8211409 1.00 IL6ST (0.45) IL6STSTAT3PIK3CDIDH1MLYCD
SCHEMBL7280251 0.87 IL6ST (0.43) IL6STSTAT3PIK3CDIDH1PLA2G10
SCHEMBL7280258 0.87 IL6ST (0.43) IL6STSTAT3PIK3CDIDH1PLA2G10
SCHEMBL7280265 0.87 IL6ST (0.43) IL6STSTAT3PIK3CDIDH1PLA2G10
SCHEMBL7344045 0.86 IL6ST (0.48) IL6STSTAT3PIK3CDIDH1MLYCD
SCHEMBL8634121 0.86 IL6ST (0.48) IL6STSTAT3PIK3CDIDH1MLYCD
SCHEMBL7428550 0.86 IL6ST (0.45) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL8218741 0.86 IL6ST (0.52) IL6STSTAT3PIK3CDPLA2G10PLA2G5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839798-B1 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LAB (US) 2005-08-17 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-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed
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-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 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