SCHEMBL8108487

SCHEMBL8108487

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NAMPT P43490 1/20 0.40
PLA2G7 Q13093 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
ASAH1 Q13510 4/20 0.37
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL8102457 0.90 ALDH1A1 (0.41) TSHRKDM4EALDH1A1TDP1KMT2A
SCHEMBL8094764 0.90 TSHR (0.41) TSHRKDM4EALDH1A1TDP1KMT2A
SCHEMBL8439456 0.89 KDM4E (0.40) TSHRKDM4EALDH1A1TDP1KMT2A
SCHEMBL8443653 0.89 KMT2A (0.46) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL8772574 0.85 ALDH1A1 (0.37) TSHRKDM4EALDH1A1TDP1KMT2A
SCHEMBL8592460 0.85 ASAH1 (0.37) TSHRKDM4EALDH1A1TDP1KMT2A
SCHEMBL8809251 0.84 MEN1 (0.39) TSHRKDM4EALDH1A1TDP1KMT2A
SCHEMBL8443006 0.84 POLB (0.41) KDM4EALDH1A1TDP1LMNA
SCHEMBL8441254 0.83 MEN1 (0.39) TSHRKDM4EALDH1A1TDP1KMT2A
SCHEMBL8772503 0.82 TRPV1 (0.48) TSHRALDH1A1KMT2ANAMPTLMNA

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