SCHEMBL7280926

SCHEMBL7280926

O=C(O)[C@H](Cc1ccccc1)N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
HSD17B10 Q99714 3/20 0.64
NPSR1 Q6W5P4 2/20 0.54
ALDH1A1 P00352 3/20 0.54
PKM P14618 1/20 0.54
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53
POLB P06746 2/20 0.52
MAPK1 P28482 1/20 0.52
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTPN7 P35236 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL9516925 1.00 LMNA (0.68) LMNAHSD17B10NPSR1ALDH1A1PKM
SCHEMBL28279760 0.88 HSD17B10 (0.54) LMNAHSD17B10NPSR1ALDH1A1PKM
SCHEMBL30842270 0.85 HSD17B10 (0.51) LMNAHSD17B10NPSR1ALDH1A1PPARG
SCHEMBL4143905 0.83 LMNA (0.71) LMNAHSD17B10NPSR1ALDH1A1PKM
SCHEMBL9277493 0.83 LMNA (0.71) LMNAHSD17B10NPSR1ALDH1A1PKM
SCHEMBL9516205 0.83 KMT2A (0.50) LMNAHSD17B10NPSR1ALDH1A1PPARG
Hydrochloric Acid SCHEMBL9096753 0.82 LMNA (0.69) LMNAHSD17B10NPSR1ALDH1A1PKM
SCHEMBL10780474 0.82 MME (0.50) LMNAHSD17B10ALDH1A1POLBMAPK1
SCHEMBL18154077 0.81 HSD17B10 (0.57) LMNAHSD17B10NPSR1ALDH1A1POLB
SCHEMBL18154411 0.81 HSD17B10 (0.57) LMNAHSD17B10NPSR1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5258362-A Enzyme inhibitors, amides with oxetane ring ABBOTT LABORATORIES (US) 1993-11-02 US disclosed
WO-1992022313-A1 RENIN INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-12-23 WO disclosed
US-5063208-A Cardiovascular disorders, vision defects ABBOTT LABORATORIES (US) 1991-11-05 US disclosed
EP-0410260-A2 Peptidyl aminodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-01-30 EP disclosed
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed