SCHEMBL8438716

SCHEMBL8438716

COC(=O)CN1C(=O)CC1SCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
ACE P12821 1/20 0.39
FFAR1 O14842 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL8442219 0.85 CYP2C19 (0.40) ACEKMT2ATSHR
SCHEMBL8374671 0.85 CYP2C19 (0.40) ACEKMT2ATSHR
SCHEMBL8438654 0.85 CYP2C19 (0.40) ACEKMT2ATSHR
SCHEMBL8439708 0.83 SIGMAR1 (0.51) ACEKMT2A
SCHEMBL8439648 0.82 ALDH1A1 (0.47) MAPTSMN1; SMN2ACEMAPK1
SCHEMBL8439425 0.81 HTT (0.50) SMN1; SMN2MAPK1GAAMEN1KMT2A
SCHEMBL8441249 0.80 HMOX1 (0.41) ACE
SCHEMBL8720293 0.79 SNCA (0.36) SMN1; SMN2MEN1KMT2A
SCHEMBL8102631 0.79 APP (0.41)
SCHEMBL8441617 0.79 TP53 (0.46) MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO claimed
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0900199-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP disclosed
CN-1197452-A Azetidinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-10-28 CN disclosed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997041099-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed