SCHEMBL8442702

SCHEMBL8442702

O=C(CCc1ccccc1)CN1C(=O)CC1[S+]([O-])CCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.38
HDAC1 Q13547 4/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
ALOX5 P09917 1/20 0.36
TRPA1 O75762 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 2/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL8443669 0.93 HMOX1 (0.40) HMOX1TRPA1MAPK1SMN1; SMN2KEAP1
SCHEMBL8094772 0.92 HMOX1 (0.39) HMOX1HDAC3LMNAMAPTTDP1
SCHEMBL8104046 0.91 HMOX1 (0.38) HMOX1TRPA1MAPK1SMN1; SMN2KEAP1
SCHEMBL8110056 0.90 HPGD (0.41) HMOX1HDAC3EPHX2LMNAMAPT
SCHEMBL8772387 0.88 HMOX1 (0.40) HMOX1TRPA1SMN1; SMN2EPHX2KEAP1
SCHEMBL8102560 0.84 HMOX1 (0.40) HMOX1ALOX5TRPA1SMN1; SMN2KEAP1
SCHEMBL8772384 0.84 MAPT (0.42) HDAC1HDAC2ALOX5EPHX2MAPT
SCHEMBL8772382 0.83 HMOX1 (0.40) HMOX1TRPA1MAPK1SMN1; SMN2KEAP1
SCHEMBL8443497 0.83 HMOX1 (0.40) HMOX1TRPA1MAPK1SMN1; SMN2KEAP1
SCHEMBL8442244 0.83 HMOX1 (0.40) HMOX1TRPA1MAPK1SMN1; SMN2KEAP1

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-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP claimed
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed