SCHEMBL7780055

SCHEMBL7780055

O=C(O)CC(SS[Au])C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
CPB1 P15086 1/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 2/20 0.40
APOBEC3G Q9HC16 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
FOLH1 Q04609 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BHMT Q93088 1/20 0.32
MAPT P10636 1/20 0.32
GABRR1 P24046 1/20 0.31

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
SCHEMBL630577 0.85 TDP1 (0.48) TDP1CPB1ALDH1A1POLBKDM4E
SCHEMBL17874 0.80 TDP1 (0.43) TDP1CPB1ALDH1A1POLBKDM4E
SCHEMBL13772960 0.79 POLB (0.39) TDP1CPB1ALDH1A1POLBKDM4E
SCHEMBL5188914 0.78 TDP1 (0.42) TDP1CPB1ALDH1A1POLBKDM4E
SCHEMBL8948260 0.75 TDP1 (0.50) TDP1CPB1ALDH1A1POLBKDM4E
SCHEMBL10729283 0.74 TDP1 (0.48) TDP1CPB1ALDH1A1POLBKDM4E
Hydrogen Sulfide SCHEMBL11546403 0.72 TDP1 (0.46) TDP1CPB1ALDH1A1POLBKDM4E
SCHEMBL7720554 0.72 TDP1 (0.46) TDP1CPB1ALDH1A1POLBKDM4E
SCHEMBL630522 0.71 SMN1; SMN2 (0.44) TDP1CPB1ALDH1A1POLBKDM4E
SCHEMBL233153 0.71 TDP1 (0.40) TDP1CPB1ALDH1A1POLBKDM4E

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-0845505-B1 Spherical colour pigments, process for their preparation and their use DMC2 DEGUSSA METALS CATALYSTS (DE) 2001-10-04 EP claimed
US-6074754-A MEAN PARTICLE DIAMETER OF LESS THAN 10 MUM, ON THE BASIS OF AN OXIDIC OR SILICATE SUBSTRATE MATERIAL WITH NOBLE METAL DISTRIBUTED EXTREMELY FINELY ON AND/OR IN THE PARTICLES. PREFERRED PIGMENTS ARE PURPLE-COLORED DEGUSSA AKTIENGESELLSCHAFT (DE) 2000-06-13 US disclosed