SCHEMBL8102457

SCHEMBL8102457

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NAMPT P43490 1/20 0.40
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PLA2G7 Q13093 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ASAH1 Q13510 1/20 0.36
ALOX15 P16050 1/20 0.35
HPGD P15428 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) ALDH1A1KDM4ETDP1NAMPTTSHR
SCHEMBL8443006 0.87 POLB (0.41) ALDH1A1KDM4ETDP1NPC1LMNA
SCHEMBL8441254 0.86 MEN1 (0.39) ALDH1A1KDM4ETDP1NAMPTTSHR
SCHEMBL8443653 0.84 KMT2A (0.46) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL8595503 0.84 POLB (0.39) ALDH1A1KDM4ETDP1NAMPTTSHR
SCHEMBL8094764 0.84 TSHR (0.41) ALDH1A1KDM4ETDP1NAMPTTSHR
SCHEMBL8439456 0.83 KDM4E (0.40) ALDH1A1KDM4ETDP1NAMPTTSHR
SCHEMBL8439022 0.82 MAPT (0.42) ALDH1A1KDM4ETDP1TSHRMEN1
SCHEMBL8809251 0.81 MEN1 (0.39) ALDH1A1KDM4ETDP1NAMPTTSHR
SCHEMBL8104153 0.81 EPHX2 (0.35) ALDH1A1KDM4ETDP1NAMPTTSHR

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