SCHEMBL7268804

SCHEMBL7268804

CC(C)CC(N)C(O)COc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
ANPEP P15144 1/20 0.49
LAP3 P28838 1/20 0.49
MAOA P21397 1/20 0.49
PTGS1 P23219 1/20 0.49
CYP2D6 P10635 3/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
SCN4A P35499 2/20 0.47
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
AAK1 Q2M2I8 2/20 0.41
CYP3A4 P08684 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 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
Hydrochloric Acid SCHEMBL7428095 0.98 LMNA (0.56) LMNAANPEPLAP3MAOAPTGS1
SCHEMBL9831025 0.84 TDP1 (0.47) LMNAANPEPLAP3MAOAPTGS1
SCHEMBL835106 0.82 LMNA (0.66) LMNAMAOAPTGS1CYP2D6ADRB2
SCHEMBL851069 0.82 LMNA (0.66) LMNAMAOAPTGS1CYP2D6ADRB2
SCHEMBL851067 0.82 LMNA (0.66) LMNAMAOAPTGS1CYP2D6ADRB2
SCHEMBL10345804 0.79 LMNA (0.61) LMNAMAOAPTGS1CYP2D6ADRB2
SCHEMBL8437532 0.79 LMNA (0.66) LMNAMAOAPTGS1CYP2D6ADRB2
SCHEMBL8437536 0.79 LMNA (0.66) LMNAMAOAPTGS1CYP2D6ADRB2
SCHEMBL8437540 0.79 LMNA (0.66) LMNAMAOAPTGS1CYP2D6ADRB2
SCHEMBL12869056 0.78 LMNA (0.70) LMNAMAOAPTGS1CYP2D6ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
US-4645759-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1987-02-24 US disclosed
EP-0172347-A2 Renin inhibiting compounds ABBOTT LABORATORIES (US) 1986-02-26 EP disclosed