SCHEMBL8094764

SCHEMBL8094764

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NAMPT P43490 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PLA2G7 Q13093 1/20 0.37
ASAH1 Q13510 3/20 0.36
TRPV1 Q8NER1 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGFR P43088 1/20 0.35

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
SCHEMBL8108487 0.90 TSHR (0.43) TSHRLMNAKDM4EALDH1A1TDP1
SCHEMBL8439456 0.86 KDM4E (0.40) TSHRKDM4EALDH1A1TDP1NAMPT
SCHEMBL8443653 0.86 KMT2A (0.46) LMNAKDM4EALDH1A1TDP1KMT2A
SCHEMBL8104153 0.86 EPHX2 (0.35) TSHRLMNAKDM4EALDH1A1TDP1
SCHEMBL8102457 0.84 ALDH1A1 (0.41) TSHRLMNAKDM4EALDH1A1TDP1
SCHEMBL8772574 0.83 ALDH1A1 (0.37) TSHRLMNAKDM4EALDH1A1TDP1
SCHEMBL8592460 0.82 ASAH1 (0.37) TSHRKDM4EALDH1A1TDP1NAMPT
SCHEMBL8104108 0.81 HPGD (0.47) TSHRLMNAALDH1A1KMT2ATRPV1
SCHEMBL8443006 0.81 POLB (0.41) LMNAKDM4EALDH1A1TDP1
SCHEMBL8809251 0.81 MEN1 (0.39) TSHRKDM4EALDH1A1TDP1NAMPT

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