SCHEMBL8102617

SCHEMBL8102617

CCCCCCSC1CC(=O)N1CC(=O)NCCCCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
TRPV1 Q8NER1 2/20 0.46
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 4/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
FKBP1A P62942 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
EPHX2 P34913 2/20 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
SCHEMBL8551142 0.88 HPGD (0.47) HPGDALDH1A1POLBEPHX2
SCHEMBL8440276 0.87 TRPV1 (0.50) HPGDTRPV1ALDH1A1KMT2ALMNA
SCHEMBL27495124 0.87 TRPV1 (0.50) HPGDTRPV1ALDH1A1KMT2ALMNA
SCHEMBL27476952 0.87 TRPV1 (0.50) HPGDTRPV1ALDH1A1KMT2ALMNA
SCHEMBL8440280 0.87 TRPV1 (0.50) HPGDTRPV1ALDH1A1KMT2ALMNA
SCHEMBL8441268 0.87 TRPV1 (0.50) HPGDTRPV1ALDH1A1KMT2ALMNA
SCHEMBL8102640 0.86 TRPV1 (0.51) HPGDTRPV1ALDH1A1KMT2ALMNA
SCHEMBL8442701 0.86 TRPV1 (0.48) HPGDTRPV1ALDH1A1KMT2ALMNA
SCHEMBL8104145 0.83 HPGD (0.40) HPGDALDH1A1LMNATSHRPOLB
SCHEMBL8441910 0.82 TRPV1 (0.55) HPGDTRPV1ALDH1A1KMT2ALMNA

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-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP 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