SCHEMBL6965348

SCHEMBL6965348

CCC(=O)N(C1CCCCC1)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.52
SLC6A4 P31645 6/20 0.52
BCL2L1 Q07817 1/20 0.50
MCL1 Q07820 1/20 0.50
KCNH2 Q12809 3/20 0.48
SLC6A3 Q01959 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.44
F2 P00734 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL6954047 0.81 ALDH1A1 (0.54) ALDH1A1GAANPSR1HTT
SCHEMBL6963809 0.80 CNR1 (0.53) ALDH1A1GAANPSR1HTTHTR2A
SCHEMBL6965063 0.80 KMT2A (0.50) ALDH1A1GAANPSR1HTT
SCHEMBL6960165 0.79 ALDH1A1 (0.52) ALDH1A1GAACA12CA1CA2
SCHEMBL6963632 0.78 NPSR1 (0.47) ALDH1A1CA12CA1CA9NPSR1
SCHEMBL3707659 0.77 BCL2L1 (0.53) SLC6A2SLC6A4BCL2L1MCL1KCNH2
SCHEMBL28477897 0.69 KMT2A (0.62) MCL1ALDH1A1GAANPSR1HTT
Propionic Acid SCHEMBL28042013 0.68 SNCA (0.55) ALDH1A1GAAHTT
SCHEMBL12309271 0.68 SLC6A2 (0.60) SLC6A2SLC6A4BCL2L1MCL1KCNH2
SCHEMBL20021989 0.68 CNR2 (0.62) SLC6A2SLC6A4ALDH1A1HTTNPC1

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-6340751-B1 REACTION OF IMIDAZOLONE WITH AMIDE AND MAGNESIUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-22 US claimed
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