SCHEMBL8102640

SCHEMBL8102640

CSC1CC(=O)N1CC(=O)NCCCCCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.51
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 3/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 2/20 0.45
GFER P55789 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
EPHX2 P34913 2/20 0.44
ASAH1 Q13510 2/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL8440276 0.88 TRPV1 (0.50) TRPV1ALDH1A1KMT2AHPGDLMNA
SCHEMBL27495124 0.88 TRPV1 (0.50) TRPV1ALDH1A1KMT2AHPGDLMNA
SCHEMBL27476952 0.88 TRPV1 (0.50) TRPV1ALDH1A1KMT2AHPGDLMNA
SCHEMBL8440280 0.88 TRPV1 (0.50) TRPV1ALDH1A1KMT2AHPGDLMNA
SCHEMBL8441268 0.88 TRPV1 (0.50) TRPV1ALDH1A1KMT2AHPGDLMNA
SCHEMBL8442701 0.87 TRPV1 (0.48) TRPV1ALDH1A1KMT2AHPGDLMNA
SCHEMBL8102617 0.86 HPGD (0.49) TRPV1ALDH1A1KMT2AHPGDLMNA
SCHEMBL8438316 0.84 TRPV1 (0.46) TRPV1ALDH1A1LMNATSHRL3MBTL1
SCHEMBL8442245 0.84 LMNA (0.47) TRPV1ALDH1A1KMT2ALMNAMEN1
SCHEMBL8094757 0.83 HTT (0.51) KMT2AHPGDLMNATSHRGAA

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
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