SCHEMBL8440436

SCHEMBL8440436

O=C(CN1C(=O)CC1[S+]([O-])Cc1ccccc1)NCCCCCCc1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 1/20 0.45
PLAAT3 P53816 2/20 0.44
PLAAT5 Q96KN8 2/20 0.44
PLAAT2 Q9NWW9 2/20 0.44
PLAAT4 Q9UL19 2/20 0.44
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GPR139 Q6DWJ6 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
GLA P06280 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
OXTR P30559 1/20 0.40
TP53 P04637 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
SCHEMBL8441662 0.94 LMNA (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL27479451 0.93 PLAAT3 (0.47) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL20971533 0.93 PLAAT3 (0.47) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8438266 0.93 PLAAT3 (0.47) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8522255 0.93 PLAAT3 (0.47) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8439673 0.93 PLAAT3 (0.47) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8438262 0.93 PLAAT3 (0.47) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL20971523 0.93 PLAAT3 (0.47) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8442091 0.93 PLAAT3 (0.47) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8772526 0.93 PLAAT3 (0.47) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4

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 6 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
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
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO 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