SCHEMBL8772522

SCHEMBL8772522

O=C(CN1C(=O)CC1[S+]([O-])Cc1ccccc1)NCCCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.46
EPHX2 P34913 2/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.43
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX1 P07099 1/20 0.43
ASAH1 Q13510 2/20 0.42
NAMPT P43490 1/20 0.42
FKBP1A P62942 1/20 0.41

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
SCHEMBL27493521 0.99 TRPV1 (0.48) TRPV1EPHX2LMNATSHRHPGD
SCHEMBL27495125 0.99 TRPV1 (0.48) TRPV1EPHX2LMNATSHRHPGD
SCHEMBL27515045 0.99 TRPV1 (0.48) TRPV1EPHX2LMNATSHRHPGD
SCHEMBL8438732 0.99 TRPV1 (0.48) TRPV1EPHX2LMNATSHRHPGD
SCHEMBL8442084 0.99 TRPV1 (0.48) TRPV1EPHX2LMNATSHRHPGD
SCHEMBL8772503 0.99 TRPV1 (0.48) TRPV1EPHX2LMNATSHRHPGD
SCHEMBL27515042 0.99 TRPV1 (0.48) TRPV1EPHX2LMNATSHRHPGD
SCHEMBL8772515 0.94 TRPV1 (0.53) TRPV1EPHX2LMNATSHRGAA
SCHEMBL8438262 0.93 PLAAT3 (0.47) TRPV1EPHX2LMNAALDH1A1L3MBTL1
SCHEMBL8522255 0.93 PLAAT3 (0.47) TRPV1EPHX2LMNAALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1175246-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-03-04 CN claimed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP claimed
CN-1175246-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-03-04 CN disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed