SCHEMBL6583388

SCHEMBL6583388

CS(=O)(=O)OC/C1=C/CCCCCCCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.39
CXCR3 P49682 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6583396 1.00 ALDH1A1 (0.51) ALDH1A1ALOX15SMN1; SMN2CXCR3TDP1
SCHEMBL2588454 0.98 ALDH1A1 (0.53) ALDH1A1ALOX15SMN1; SMN2CXCR3TDP1
SCHEMBL6588086 0.92 ALDH1A1 (0.46) ALDH1A1ALOX15SMN1; SMN2TDP1KMT2A
SCHEMBL1054489 0.76 CXCR3 (0.42) ALDH1A1ALOX15SMN1; SMN2CXCR3PKM
SCHEMBL1051261 0.76 CXCR3 (0.42) ALDH1A1ALOX15SMN1; SMN2CXCR3PKM
SCHEMBL1054487 0.76 CXCR3 (0.42) ALDH1A1ALOX15SMN1; SMN2CXCR3PKM
SCHEMBL10881311 0.76 CXCR3 (0.41) ALDH1A1ALOX15SMN1; SMN2CXCR3NPSR1
SCHEMBL10881315 0.76 CXCR3 (0.41) ALDH1A1ALOX15SMN1; SMN2CXCR3NPSR1
SCHEMBL10881322 0.76 CXCR3 (0.41) ALDH1A1ALOX15SMN1; SMN2CXCR3NPSR1
SCHEMBL1050390 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990653-B1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 EP disclosed
US-6258825-B1 ANALGESIC, A RELIEVER AGAINST TOLERANCE TO A NARCOTIC ANALGESIC REPRESENTED BY MORPHINE, REMEDY FOR PARKINSONISM, A REMEDY FOR CHOREA, AN ANTIDEPRESSANT, A REMEDY FOR DIABETES INSIPIDUS, A REMEDY FOR POLYURIA, OR HYPOTENSION BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-07-10 US disclosed
EP-0990653-A1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP disclosed