SCHEMBL8094761

SCHEMBL8094761

O=C(O)CCCSC1CC(=O)N1CC(=O)NCCCCCCc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
PLA2G7 Q13093 1/20 0.42
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NAMPT P43490 1/20 0.39
MEN1 O00255 1/20 0.39
TRPV1 Q8NER1 1/20 0.37
ASAH1 Q13510 2/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL8094721 0.89 PLA2G7 (0.43) TSHRLMNAPLA2G7KMT2AKDM4E
SCHEMBL8438730 0.86 PLA2G7 (0.45) TSHRPLA2G7KMT2AKDM4EALDH1A1
SCHEMBL8443487 0.86 KMT2A (0.48) TSHRLMNAPLA2G7KMT2AKDM4E
SCHEMBL8108497 0.85 PLA2G7 (0.38) TSHRPLA2G7KMT2AKDM4EALDH1A1
SCHEMBL8104179 0.83 PLA2G7 (0.42) TSHRLMNAPLA2G7KDM4EALDH1A1
SCHEMBL8102617 0.81 HPGD (0.49) TSHRLMNAKMT2AALDH1A1TRPV1
SCHEMBL8440358 0.81 PLA2G7 (0.44) LMNAPLA2G7KMT2AKDM4EALDH1A1
SCHEMBL8594638 0.80 PLA2G7 (0.41) TSHRPLA2G7KMT2AKDM4EALDH1A1
SCHEMBL8094764 0.80 TSHR (0.41) TSHRLMNAPLA2G7KMT2AKDM4E
SCHEMBL8440280 0.79 TRPV1 (0.50) TSHRLMNAKMT2AALDH1A1NAMPT

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