SCHEMBL4037754

SCHEMBL4037754

CC(C)C[C@H](CC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CTSS P25774 3/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
PKM P14618 2/20 0.41
POLB P06746 2/20 0.41
FKBP1A P62942 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.40
MME P08473 2/20 0.40
GLA P06280 1/20 0.40
LMNA P02545 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4044696 1.00 MEN1 (0.44) MEN1KMT2AL3MBTL1CTSSALDH1A1
SCHEMBL8612766 0.83 SLC1A3 (0.42) MEN1KMT2AL3MBTL1HPGDPOLB
SCHEMBL8652466 0.83 SLC1A3 (0.42) MEN1KMT2AL3MBTL1HPGDPOLB
SCHEMBL8611291 0.83 SLC1A3 (0.42) MEN1KMT2AL3MBTL1HPGDPOLB
SCHEMBL9845297 0.83 SLC1A3 (0.42) MEN1KMT2AL3MBTL1HPGDPOLB
SCHEMBL5955895 0.81 POLB (0.40) MEN1KMT2AL3MBTL1CTSSALDH1A1
SCHEMBL5418141 0.81 POLB (0.40) MEN1KMT2AL3MBTL1CTSSALDH1A1
SCHEMBL5954877 0.81 CTSS (0.40) MEN1KMT2AL3MBTL1CTSSALDH1A1
SCHEMBL5954871 0.81 CTSS (0.40) MEN1KMT2AL3MBTL1CTSSALDH1A1
SCHEMBL5954873 0.81 POLB (0.40) MEN1KMT2AL3MBTL1CTSSALDH1A1

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
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