SCHEMBL8539857

SCHEMBL8539857

COc1ccccc1C(C(=O)O)C(O)=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
HTT P42858 3/20 0.49
POLB P06746 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CA4 P22748 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
LMNA P02545 1/20 0.41
SRC P12931 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL4628923 0.89 KMT2A (0.56) KMT2AHTTPOLBNPSR1L3MBTL1
SCHEMBL7756307 0.79 POLB (0.50) KMT2AHTTPOLBNPSR1L3MBTL1
SCHEMBL8536459 0.78 SRC (0.43) POLBL3MBTL1SMN1; SMN2LMNASRC
SCHEMBL6950812 0.78 SRC (0.43) KMT2AHTTL3MBTL1PTGS1PTGS2
SCHEMBL306964 0.77 CA1 (0.54) KMT2AHTTPOLBNPSR1L3MBTL1
SCHEMBL29386813 0.77 CA1 (0.54) KMT2AHTTPOLBNPSR1L3MBTL1
SCHEMBL8825702 0.76 L3MBTL1 (0.47) KMT2AHTTPOLBNPSR1L3MBTL1
SCHEMBL8473051 0.76 PTGS2 (0.64) KMT2AHTTPOLBNPSR1L3MBTL1
SCHEMBL6400516 0.76 KMT2A (0.55) KMT2AHTTPOLBNPSR1L3MBTL1
SCHEMBL503435 0.76 KMT2A (0.55) KMT2AHTTPOLBNPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed