SCHEMBL30728867

SCHEMBL30728867

COC(=O)c1cccc(-c2ccccc2OC)c1CBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
TSHR P16473 3/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC6A3 Q01959 3/20 0.47
VDR P11473 1/20 0.46
HTT P42858 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSP90AA1 P07900 2/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
MAPK10 P53779 1/20 0.46
PTK2B Q14289 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
SLC6A4 P31645 1/20 0.46
CTSD P07339 1/20 0.45
ALDH1A1 P00352 3/20 0.43

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
SCHEMBL16672550 0.87 MAPT (0.48) MAPTTSHRGAAMAPK1HSD17B10
SCHEMBL668473 0.86 GAA (0.49) MAPTTSHRGAAMAPK1HSD17B10
SCHEMBL30429212 0.86 GAA (0.49) MAPTTSHRGAAMAPK1HSD17B10
SCHEMBL22261474 0.82 SLC6A3 (0.54) MAPTTSHRGAAHSD17B10SLC6A3
SCHEMBL30285248 0.81 SLC6A3 (0.60) MAPTTSHRGAAMAPK1HSD17B10
SCHEMBL7174241 0.81 SLC6A3 (0.60) MAPTTSHRGAAMAPK1HSD17B10
SCHEMBL29041518 0.81 LMNA (0.52) MAPTTSHRGAAHSD17B10SLC6A3
SCHEMBL29240004 0.78 SLC6A3 (0.43) MAPTTSHRGAAMAPK1HSD17B10
Methyl 2-Methoxybenzoate SCHEMBL29702077 0.78 TSHR (0.69) MAPTTSHRGAAMAPK1HSD17B10
Methyl 2-Methoxybenzoate SCHEMBL196037 0.78 TSHR (0.69) MAPTTSHRGAAMAPK1HSD17B10

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
CN-117186001-B AHA1 inhibitor with multiple myeloma-resisting activity and preparation method and application thereof 南京中医药大学 2024-09-17 CN disclosed
CN-117186001-A AHA1 inhibitor with multiple myeloma-resisting activity and preparation method and application thereof 南京中医药大学 2023-12-08 CN disclosed