SCHEMBL8104174

SCHEMBL8104174

C[S+]([O-])C1CC(=O)N1CC(=O)NOCCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
USP2 O75604 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8108451 0.81 HTT (0.49) USP2POLBLMNAALDH1A1SMN1; SMN2
SCHEMBL8108405 0.81 HTT (0.49) USP2POLBLMNAALDH1A1SMN1; SMN2
SCHEMBL8094760 0.81 HTT (0.49) USP2POLBLMNAALDH1A1SMN1; SMN2
SCHEMBL8521958 0.81 EPHX2 (0.39) EPHX2USP2
SCHEMBL8102667 0.80 EPHX2 (0.41) EPHX2USP2SIGMAR1POLBLMNA
SCHEMBL8102633 0.80 TRPV1 (0.49) EPHX2POLBLMNAL3MBTL1ALDH1A1
SCHEMBL8102560 0.79 HMOX1 (0.40) SIGMAR1POLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8102574 0.77 HDAC3 (0.40) EPHX2LMNASMN1; SMN2KMT2A
SCHEMBL8104122 0.76 MAPT (0.43)
SCHEMBL8104210 0.76 MAPT (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US claimed
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP claimed
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 WO claimed
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US disclosed