SCHEMBL1446458

SCHEMBL1446458

CCSc1ccc(O)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
HSD17B10 Q99714 5/20 0.48
ALOX15 P16050 4/20 0.48
HPGD P15428 3/20 0.48
ALOX12 P18054 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 8/20 0.47
PKM P14618 2/20 0.47
USP2 O75604 2/20 0.47
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RECQL P46063 2/20 0.44
HTT P42858 2/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 2/20 0.42
THRB P10828 2/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL3952963 0.83 MAPK1 (0.51) ALDH1A1HSD17B10ALOX15HPGDSMN1; SMN2
SCHEMBL3720200 0.79 ESR1 (0.48) ALDH1A1HSD17B10ALOX15HPGDALOX12
SCHEMBL10888353 0.79 MEN1 (0.38) ALDH1A1HSD17B10ALOX15HPGDALOX12
SCHEMBL3784454 0.79 SLC6A4 (0.37) ALDH1A1MAPTMCL1SLC6A4MAOA
SCHEMBL3723662 0.78 HSD17B10 (0.50) ALDH1A1HSD17B10ALOX15HPGDALOX12
SCHEMBL11777073 0.78 SLC6A4 (0.39) ALDH1A1MAPTSLC6A4MAOAGCK
SCHEMBL3786473 0.78 TSHR (0.50) ALDH1A1HSD17B10ALOX15HPGDALOX12
SCHEMBL4544572 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10ALOX15HPGDALOX12
SCHEMBL9361517 0.75 SLC6A4 (0.40) ALDH1A1HSD17B10ALOX15GAAPKM
SCHEMBL27229140 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10ALOX15MAPK1GAA

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-2302000-A1 Curable composition and catalyst composition KANEKA CORPORATION (JP) 2011-03-30 EP disclosed
WO-2009021750-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-19 WO disclosed
WO-2009021750-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-19 WO disclosed