SCHEMBL8104153

SCHEMBL8104153

C=CCOC(=O)CCC[S+]([O-])C1CC(=O)N1CC(=O)NCCCCCCc1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
NAMPT P43490 1/20 0.34
PLA2G7 Q13093 1/20 0.34
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
ASAH1 Q13510 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX15 P16050 1/20 0.32
LMNA P02545 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8442258 0.88 TDP1 (0.34) NAMPTPLA2G7TSHRKDM4EALDH1A1
SCHEMBL8094764 0.86 TSHR (0.41) NAMPTPLA2G7TSHRKDM4EALDH1A1
SCHEMBL27494322 0.85 LMNA (0.39) NAMPTPLA2G7TSHRKDM4EALDH1A1
SCHEMBL8593281 0.83 PLA2G7 (0.34) NAMPTPLA2G7TSHRKDM4EALDH1A1
SCHEMBL8108497 0.83 PLA2G7 (0.38) EPHX2NAMPTPLA2G7TSHRKDM4E
SCHEMBL8102457 0.81 ALDH1A1 (0.41) NAMPTPLA2G7TSHRKDM4EALDH1A1
SCHEMBL8094854 0.80 PLA2G7 (0.39) NAMPTPLA2G7TSHRKDM4EALDH1A1
SCHEMBL8108487 0.80 TSHR (0.43) NAMPTPLA2G7TSHRKDM4EALDH1A1
SCHEMBL8517608 0.79 LMNA (0.35) TSHRALDH1A1MEN1KMT2AALOX15
SCHEMBL8443653 0.78 KMT2A (0.46) EPHX2KDM4EALDH1A1TDP1ASAH1

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 6 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
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP disclosed
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 WO disclosed