SCHEMBL6954047

SCHEMBL6954047

CCC(=O)N(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
NPSR1 Q6W5P4 6/20 0.54
TP53 P04637 2/20 0.54
ALOX15 P16050 2/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CNR1 P21554 3/20 0.50
CNR2 P34972 3/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
BACE1 P56817 1/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL6960165 0.99 ALDH1A1 (0.52) ALDH1A1NPSR1TP53ALOX15MAPK1
SCHEMBL6965063 0.88 KMT2A (0.50) ALDH1A1NPSR1TP53ALOX15MAPK1
SCHEMBL6963809 0.85 CNR1 (0.53) ALDH1A1NPSR1L3MBTL1KMT2AMEN1
SCHEMBL6963632 0.85 NPSR1 (0.47) ALDH1A1NPSR1TP53ALOX15MAPK1
SCHEMBL6965348 0.81 SLC6A2 (0.52) ALDH1A1NPSR1GAAHTT
SCHEMBL3280160 0.76 POLB (0.54) ALDH1A1NPSR1TP53ALOX15MAPK1
SCHEMBL3909934 0.76 ALDH1A1 (0.67) ALDH1A1NPSR1TP53ALOX15MAPK1
SCHEMBL3699604 0.76 POLB (0.54) ALDH1A1NPSR1TP53ALOX15MAPK1
SCHEMBL9303072 0.74 ALDH1A1 (0.73) ALDH1A1NPSR1L3MBTL1KMT2AMEN1
SCHEMBL11116465 0.73 CNR1 (0.50) ALDH1A1NPSR1TP53ALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340751-B1 REACTION OF IMIDAZOLONE WITH AMIDE AND MAGNESIUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-22 US claimed
CN-101460494-A Process for production of 4-substituted azetidinone derivatives KANEGAFUCHI CHEMICAL IND (JP) 2009-06-17 CN disclosed
EP-0974582-B1 Process for the preparation of 4-substituted azetidinone derivatives TAKASAGO PERFUMERY CO LTD (JP) 2003-02-12 EP disclosed
US-6340751-B1 REACTION OF IMIDAZOLONE WITH AMIDE AND MAGNESIUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-22 US disclosed
EP-0974582-A1 Process for the preparation of 4-substituted azetidinone derivatives Takasago International Corporation (JP) 2000-01-26 EP disclosed