SCHEMBL8522333

SCHEMBL8522333

N=NC1CCCCCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA4 P22748 3/20 0.43
CA6 P23280 2/20 0.33
MCL1 Q07820 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
TLR4 O00206 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL10760687 1.00 KMT2A (0.46) KMT2ACA1CA2CA4CA6
SCHEMBL8776291 1.00 KMT2A (0.46) KMT2ACA1CA2CA4CA6
SCHEMBL28708985 0.98
SCHEMBL7086241 0.91
SCHEMBL3467293 0.81 KMT2A (0.50) KMT2ACA1CA2CA4CA6
SCHEMBL11154756 0.78 CA1 (0.48) KMT2ACA1CA2CA4CA6
SCHEMBL2632690 0.76
SCHEMBL14537424 0.70 CA1 (0.40) KMT2ACA1CA2CA4MCL1
SCHEMBL6769544 0.67 KMT2A (0.56) KMT2ACA1CA2CA4CA6
SCHEMBL7706356 0.67 KMT2A (0.56) KMT2ACA1CA2CA4CA6

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-0730631-B1 BLEACHING COMPOSITIONS WARWICK INT GROUP (GB) 1999-07-07 EP disclosed
EP-0730631-A1 BLEACHING COMPOSITIONS WARWICK INTERNATIONAL GROUP LIMITED (Company No. 2982784) (GB) 1996-09-11 EP disclosed
WO-1995014759-A1 BLEACHING COMPOSITIONS WARWICK INTERNATIONAL GROUP LIMITED (GB) 1995-06-01 WO disclosed