SCHEMBL8439155

SCHEMBL8439155

O=C(CN1C(=O)C[C@@H]1SCc1ccccc1)NCCCCCCc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
TRPV1 Q8NER1 3/20 0.45
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
ASAH1 Q13510 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL8438842 1.00 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4HPGD
SCHEMBL8440368 1.00 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4HPGD
SCHEMBL8438577 1.00 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4HPGD
SCHEMBL27495124 0.94 TRPV1 (0.50) HPGDTRPV1LMNAALDH1A1L3MBTL1
SCHEMBL8441268 0.94 TRPV1 (0.50) HPGDTRPV1LMNAALDH1A1L3MBTL1
SCHEMBL27476952 0.94 TRPV1 (0.50) HPGDTRPV1LMNAALDH1A1L3MBTL1
SCHEMBL8440276 0.94 TRPV1 (0.50) HPGDTRPV1LMNAALDH1A1L3MBTL1
SCHEMBL8440280 0.94 TRPV1 (0.50) HPGDTRPV1LMNAALDH1A1L3MBTL1
SCHEMBL8442701 0.93 TRPV1 (0.48) HPGDTRPV1LMNAALDH1A1L3MBTL1
SCHEMBL8440465 0.91 TRPV1 (0.41) HPGDTRPV1LMNAALDH1A1L3MBTL1

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
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US claimed
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
CN-1175246-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-03-04 CN disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed