SCHEMBL8551142

SCHEMBL8551142

CCCCCCCCCNC(=O)CN1C(=O)CC1SCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.42
NAAA Q02083 1/20 0.41
NAMPT P43490 2/20 0.40
ASAH1 Q13510 1/20 0.40
PRCP P42785 1/20 0.40
EPHX1 P07099 3/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
DRD3 P35462 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
SCHEMBL27476952 0.90 TRPV1 (0.50) HPGDNAMPTASAH1EPHX2ALDH1A1
SCHEMBL27495124 0.90 TRPV1 (0.50) HPGDNAMPTASAH1EPHX2ALDH1A1
SCHEMBL8440276 0.90 TRPV1 (0.50) HPGDNAMPTASAH1EPHX2ALDH1A1
SCHEMBL8441268 0.90 TRPV1 (0.50) HPGDNAMPTASAH1EPHX2ALDH1A1
SCHEMBL8440280 0.90 TRPV1 (0.50) HPGDNAMPTASAH1EPHX2ALDH1A1
SCHEMBL8442701 0.89 TRPV1 (0.48) HPGDNAMPTASAH1EPHX2ALDH1A1
SCHEMBL8102617 0.88 HPGD (0.49) HPGDPOLBEPHX2ALDH1A1
SCHEMBL8592437 0.87 LMNA (0.44) HPGDNAMPT
SCHEMBL8441910 0.86 TRPV1 (0.55) HPGDALDH1A1
SCHEMBL8591482 0.85 TRPV1 (0.45) HPGDNAMPTASAH1EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865429-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-09-23 EP disclosed
WO-1997021676-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-06-19 WO disclosed