SCHEMBL5360080

SCHEMBL5360080

CCS.c1csc(-c2ccsc2-c2cccs2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 2/20 0.39
KEAP1 Q14145 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 1/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
PPARG P37231 1/20 0.36
HTT P42858 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 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
SCHEMBL147273 0.88 KDM4E (0.42) LTA4HALDH1A1MAPTGAAMEN1
SCHEMBL365802 0.88 KDM4E (0.42) LTA4HALDH1A1MAPTGAAMEN1
Methyl Alcohol SCHEMBL6013731 0.86 ALDH1A1 (0.42) LTA4HALDH1A1MAPTGAAKEAP1
Octane SCHEMBL5674531 0.86 ALDH1A1 (0.42) LTA4HALDH1A1MAPTGAAKEAP1
SCHEMBL5674018 0.86 ALDH1A1 (0.42) LTA4HALDH1A1MAPTGAAKEAP1
SCHEMBL5360810 0.86 LTA4H (0.39) LTA4HALDH1A1MAPTGAAKEAP1
Dodecane SCHEMBL5672736 0.86 ALDH1A1 (0.42) LTA4HALDH1A1MAPTGAAKEAP1
SCHEMBL22734772 0.84 PTPRC (0.41) LTA4HALDH1A1MAPTGAAMEN1
SCHEMBL22734807 0.84 PTPRC (0.41) LTA4HALDH1A1MAPTGAAMEN1
SCHEMBL22763791 0.84 PTPRC (0.41) LTA4HALDH1A1MAPTGAAMEN1

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
US-7230335-B2 Inspection methods and structures for visualizing and/or detecting specific chip structures INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-06-12 US disclosed
US-20060071208-A1 INSPECTION METHODS AND STRUCTURES FOR VISUALIZING AND/OR DETECTING SPECIFIC CHIP STRUCTURES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2006-04-06 US disclosed