SCHEMBL6963632

SCHEMBL6963632

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
PSEN1 P49768 3/20 0.46
PSEN2 P49810 3/20 0.46
APH1B Q8WW43 3/20 0.46
NCSTN Q92542 3/20 0.46
APH1A Q96BI3 3/20 0.46
PSENEN Q9NZ42 3/20 0.46
SPPL2A Q8TCT8 2/20 0.46
RAB9A P51151 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HCRTR2 O43614 1/20 0.43
ACHE P22303 1/20 0.43
EPHX2 P34913 1/20 0.41
RORC P51449 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41

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) NPSR1KMT2AMEN1POLBALDH1A1
SCHEMBL6965063 0.84 KMT2A (0.50) NPSR1PSEN1PSEN2APH1BNCSTN
SCHEMBL6960165 0.84 ALDH1A1 (0.52) NPSR1HTR2AHTR2CKMT2AMEN1
SCHEMBL6963809 0.82 CNR1 (0.53) NPSR1HTR2AHTR2CKMT2AMEN1
SCHEMBL1040532 0.78 HCRTR2 (0.56) NPSR1PSEN1PSEN2APH1BNCSTN
SCHEMBL6965348 0.78 SLC6A2 (0.52) NPSR1RAB9AHTR2AHTR2CCA12
SCHEMBL12169379 0.76 HTR2A (0.72) NPSR1RAB9AHTR2AHTR2CKMT2A
SCHEMBL1040787 0.72 NPSR1 (0.46) NPSR1PSEN1PSEN2APH1BNCSTN
SCHEMBL28477897 0.71 KMT2A (0.62) NPSR1RAB9AHTR2AHTR2CKMT2A
SCHEMBL1040289 0.68 HCRTR2 (0.55) NPSR1PSEN1PSEN2APH1BNCSTN

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