SCHEMBL8104077

SCHEMBL8104077

CSC1C(C)C(=O)N1CC(=O)NCCCCCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.52
HPGD P15428 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 3/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
ASAH1 Q13510 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL8104079 1.00 TRPV1 (0.52) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL8104082 1.00 TRPV1 (0.52) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL8441538 0.90 TRPV1 (0.49) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL8102549 0.84 NPC1 (0.54) HPGDKMT2ALMNATSHRPOLB
SCHEMBL8102557 0.84 NPC1 (0.54) HPGDKMT2ALMNATSHRPOLB
SCHEMBL8102553 0.84 NPC1 (0.54) HPGDKMT2ALMNATSHRPOLB
SCHEMBL8104223 0.82 TRPV1 (0.50) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL8108459 0.81 TRPV1 (0.49) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL8108306 0.81 TRPV1 (0.49) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL8552359 0.81 TRPV1 (0.49) TRPV1HPGDALDH1A1KMT2ALMNA

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 5 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
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