SCHEMBL8094854

SCHEMBL8094854

C=CCOC(=O)CSC1CC(=O)N1CC(=O)NCCCCCCc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 6/20 0.39
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 2/20 0.34
ASAH1 Q13510 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 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
SCHEMBL8108497 0.91 PLA2G7 (0.38) PLA2G7NAMPTALDH1A1TSHRKDM4E
SCHEMBL8440371 0.90 PLA2G7 (0.40) PLA2G7NAMPTALDH1A1TSHRKDM4E
SCHEMBL8104179 0.88 PLA2G7 (0.42) PLA2G7NAMPTALDH1A1TSHRKDM4E
SCHEMBL8552851 0.85 PLA2G7 (0.39) PLA2G7NAMPTALDH1A1TSHRKDM4E
SCHEMBL8094721 0.85 PLA2G7 (0.43) PLA2G7NAMPTALDH1A1TSHRKDM4E
SCHEMBL8104153 0.80 EPHX2 (0.35) PLA2G7NAMPTALDH1A1TSHRKDM4E
SCHEMBL8443487 0.79 KMT2A (0.48) PLA2G7ALDH1A1TSHRKDM4ETDP1
SCHEMBL8442258 0.79 TDP1 (0.34) PLA2G7NAMPTALDH1A1TSHRKDM4E
SCHEMBL8094761 0.79 TSHR (0.42) PLA2G7NAMPTALDH1A1TSHRKDM4E
SCHEMBL8440358 0.78 PLA2G7 (0.44) PLA2G7ALDH1A1KDM4ETDP1KMT2A

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
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