SCHEMBL8772461

SCHEMBL8772461

O=C(CN1C(=O)[C@@H](Br)[C@H]1SCc1ccccc1)NCCCCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.49
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.42
ASAH1 Q13510 2/20 0.42
LPL P06858 1/20 0.41
LIPC P11150 1/20 0.41
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL8776909 1.00 TRPV1 (0.49) TRPV1LMNATSHRHPGDALDH1A1
SCHEMBL8441538 0.87 TRPV1 (0.49) TRPV1LMNATSHRHPGDALDH1A1
SCHEMBL8440268 0.82 KMT2A (0.44) TRPV1LMNAKMT2AL3MBTL1ASAH1
SCHEMBL8440271 0.82 KMT2A (0.44) TRPV1LMNAKMT2AL3MBTL1ASAH1
SCHEMBL8439464 0.80 KMT2A (0.43) TRPV1LMNAKMT2AASAH1LPL
SCHEMBL27495124 0.80 TRPV1 (0.50) TRPV1LMNATSHRHPGDALDH1A1
SCHEMBL27476952 0.80 TRPV1 (0.50) TRPV1LMNATSHRHPGDALDH1A1
SCHEMBL8440276 0.80 TRPV1 (0.50) TRPV1LMNATSHRHPGDALDH1A1
SCHEMBL8440280 0.80 TRPV1 (0.50) TRPV1LMNATSHRHPGDALDH1A1
SCHEMBL8441268 0.80 TRPV1 (0.50) TRPV1LMNATSHRHPGDALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed