SCHEMBL8996806

SCHEMBL8996806

COC(=O)c1ccc(C(=O)c2ccc(N)c(N)c2C(=O)c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
ALDH1A1 P00352 5/20 0.54
GAA P10253 3/20 0.54
HSD17B10 Q99714 3/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 2/20 0.54
GLA P06280 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
ATM Q13315 1/20 0.54
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA7 P43166 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL5226989 0.84 NPC1 (0.55) MAPTALDH1A1GAAHSD17B10KDM4E
SCHEMBL6172186 0.81 ALDH1A1 (0.48) MAPTALDH1A1GAAHSD17B10KDM4E
SCHEMBL28229993 0.79 ALDH1A1 (0.53) MAPTALDH1A1GAAHSD17B10KDM4E
SCHEMBL8953053 0.78 ALDH1A1 (0.53) MAPTALDH1A1GAAHSD17B10KDM4E
SCHEMBL9574892 0.77 MAPT (0.56) MAPTALDH1A1GAAHSD17B10KDM4E
SCHEMBL9574798 0.77 ALDH1A1 (0.68) MAPTALDH1A1GAAHSD17B10KDM4E
SCHEMBL8953058 0.75 KDM4E (0.50) MAPTALDH1A1GAAHSD17B10KDM4E
SCHEMBL2337244 0.74 CA1 (0.70) MAPTALDH1A1CA1CA2CA12
SCHEMBL7622797 0.74 RXRA (0.55) MAPTALDH1A1GAAHSD17B10KDM4E
SCHEMBL11795594 0.73 ALDH1A1 (0.57) MAPTALDH1A1GAAHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724568-A1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER PLC (GB) 1996-08-07 EP disclosed
WO-1995003275-A1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER N.V. (NL) 1995-02-02 WO disclosed