SCHEMBL8550015

SCHEMBL8550015

CCCC(C(=O)OC)N1C(=O)CC1SCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.38
GAA P10253 1/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL8557349 0.91 L3MBTL1 (0.40) ACEPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL8552490 0.88 ALDH1A1 (0.42) ACEGAAPOLBALDH1A1CYP2C9
SCHEMBL8552221 0.88 MDM2 (0.44) ACEPOLBALDH1A1CYP2C9MEN1
SCHEMBL8557133 0.84 ACE (0.37) ACEPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL8551020 0.83 ACE (0.43) ACEPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL8552273 0.81 ACE (0.37) ACEGAAALDH1A1
SCHEMBL27484036 0.81 ACE (0.40) ACEALDH1A1MEN1KMT2A
SCHEMBL8551199 0.81 ALDH1A1 (0.43) ACEGAAPOLBALDH1A1CYP2C9
SCHEMBL8554773 0.77 ALDH1A1 (0.54) ACEGAAPOLBALDH1A1CYP2C9
SCHEMBL5170081 0.76 GAA (0.42) ACEGAAPOLBALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed