SCHEMBL6963809

SCHEMBL6963809

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MMP3 P08254 2/20 0.49
HTT P42858 2/20 0.49
ATM Q13315 1/20 0.49
CAMK2A Q9UQM7 3/20 0.48
CAMK2G Q13555 1/20 0.48
PTGES O14684 1/20 0.48
TAS2R14 Q9NYV8 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
BACE1 P56817 1/20 0.47
POLB P06746 1/20 0.46
KCNA5 P22460 1/20 0.46
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45

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 0.85 ALDH1A1 (0.54) CNR1CNR2ALDH1A1HTTNPSR1
SCHEMBL6965063 0.84 KMT2A (0.50) ALDH1A1HTTTAS2R14NPSR1KMT2A
SCHEMBL6960165 0.84 ALDH1A1 (0.52) CNR1CNR2ALDH1A1HTTTAS2R14
SCHEMBL6963632 0.82 NPSR1 (0.47) ALDH1A1NPSR1POLBKMT2AMAPT
SCHEMBL6965348 0.80 SLC6A2 (0.52) ALDH1A1HTTNPSR1GAAHTR2A
SCHEMBL7342866 0.78 CNR1 (0.60) CNR1CNR2TSHRALDH1A1MMP3
Bicarbonate SCHEMBL2492631 0.77 ALDH1A1 (0.65) CNR1CNR2TSHRALDH1A1MMP3
SCHEMBL13979925 0.76 ALDH1A1 (0.72) CNR1CNR2TSHRALDH1A1HTT
SCHEMBL6413655 0.74 MMP3 (0.66) CNR1CNR2TSHRALDH1A1MMP3
SCHEMBL13900685 0.73 CNR1 (0.60) CNR1CNR2TSHRALDH1A1MMP3

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