SCHEMBL8557349

SCHEMBL8557349

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ACE P12821 1/20 0.39
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8550015 0.91 ACE (0.38) ACEALDH1A1CYP1A2POLBCYP2C9
SCHEMBL8552490 0.91 ALDH1A1 (0.42) ACEALDH1A1POLBCYP2C9NPC1
SCHEMBL8551199 0.88 ALDH1A1 (0.43) L3MBTL1ACEALDH1A1POLBCYP2C9
SCHEMBL8557133 0.86 ACE (0.37) ACEALDH1A1CYP1A2POLBCYP2C9
SCHEMBL8551020 0.85 ACE (0.43) L3MBTL1ACEALDH1A1CYP1A2POLB
SCHEMBL8552273 0.83 ACE (0.37) ACEALDH1A1NPC1RAB9A
SCHEMBL8552221 0.81 MDM2 (0.44) L3MBTL1ACEALDH1A1POLBCYP2C9
SCHEMBL27484036 0.81 ACE (0.40) L3MBTL1ACEALDH1A1
SCHEMBL8554773 0.79 ALDH1A1 (0.54) L3MBTL1ACEALDH1A1POLBCYP2C9
SCHEMBL8440266 0.77 ACE (0.46) ACEALDH1A1

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