SCHEMBL8108459

SCHEMBL8108459

C[C@@H]1C(=O)N(CC(=O)NCCCCCCc2ccccc2)[C@H]1[S+](C)[O-]

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.49
HPGD P15428 3/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.42
ASAH1 Q13510 2/20 0.42

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
SCHEMBL8108458 1.00 TRPV1 (0.49) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL8108310 1.00 TRPV1 (0.49) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL8108304 1.00 TRPV1 (0.49) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL8108306 1.00 TRPV1 (0.49) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL8439341 0.90 TRPV1 (0.47) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL8104208 0.89 TRPV1 (0.40) TRPV1HPGDALDH1A1KMT2ALMNA
SCHEMBL8094808 0.84 NPC1 (0.49) KMT2ALMNATSHRPOLBGAA
SCHEMBL8094805 0.84 NPC1 (0.49) KMT2ALMNATSHRPOLBGAA
SCHEMBL8094816 0.84 NPC1 (0.49) KMT2ALMNATSHRPOLBGAA
SCHEMBL8104077 0.81 TRPV1 (0.52) 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 3 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
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