SCHEMBL7293161

SCHEMBL7293161

CC(=O)CC(S)(Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
PTPN1 P18031 5/20 0.44
PTPRC P08575 2/20 0.44
RECQL P46063 1/20 0.43
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.40
MMP8 P22894 1/20 0.40
LMNA P02545 1/20 0.40
HCAR2 Q8TDS4 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
SCHEMBL7383003 0.81 SMN1; SMN2 (0.47) ALDH1A1RECQLSLC6A2MMP8LMNA
SCHEMBL24386614 0.78 ALDH1A1 (0.58) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7279738 0.78 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL19668950 0.77 ALDH1A1 (0.56) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL28320315 0.76 ALDH1A1 (0.54) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL12141663 0.75 ALDH1A1 (0.53) ALDH1A1PTPN1PTPRCRECQLKMT2A
SCHEMBL28371759 0.74 ALDH1A1 (0.56) ALDH1A1PTPN1PTPRCRECQLKMT2A
SCHEMBL5436754 0.74 ALDH1A1 (0.55) ALDH1A1PTPN1PTPRCKMT2ATDP1
SCHEMBL9574211 0.73 ALDH1A1 (0.50) ALDH1A1PTPN1PTPRCKMT2ATDP1
SCHEMBL27651792 0.72 ALDH1A1 (0.50) ALDH1A1PTPN1KMT2ATDP1MAPK1

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-0456185-B1 Renin inhibitors ABBOTT LAB (US) 1995-05-31 EP disclosed
US-5332742-A Ocular hypotensive ABBOTT LABORATORIES (US) 1994-07-26 US disclosed
US-5310740-A Congestive heart failure, hypotensive agents, antiglaucoma agents; side effect reduction ABBOTT LABORATORIES (US) 1994-05-10 US disclosed
US-5284849-A Treating hypertension and congestive heart failure ABBOTT LABORATORIES (US) 1994-02-08 US disclosed
US-5258362-A Enzyme inhibitors, amides with oxetane ring ABBOTT LABORATORIES (US) 1993-11-02 US disclosed
EP-0456185-A2 Renin inhibitors ABBOTT LABORATORIES (US) 1991-11-13 EP 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