SCHEMBL28297533

SCHEMBL28297533

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.55
KMT2A Q03164 1/20 0.49
POLB P06746 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ACP1 P24666 1/20 0.46
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
ACHE P22303 2/20 0.45
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
CA12 O43570 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HTR6 P50406 1/20 0.42
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 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
SCHEMBL27940398 0.87 SRC (0.45) SRCKMT2APOLBHTTNPSR1
SCHEMBL27587594 0.83 SRC (0.51) SRCKMT2APOLBHTTL3MBTL1
SCHEMBL28140052 0.77 KMT2A (0.53) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL27940313 0.76 SRC (0.55) SRCKMT2APOLBACP1
SCHEMBL4628923 0.76 KMT2A (0.56) SRCKMT2APOLBHTTNPSR1
SCHEMBL5691638 0.75 SRC (0.58) SRCKMT2AACP1IDO1TDO2
SCHEMBL8473051 0.74 PTGS2 (0.64) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL7885098 0.74 PTGS2 (0.64) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL503435 0.74 KMT2A (0.55) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL503436 0.74 KMT2A (0.55) KMT2APOLBHTTNPSR1L3MBTL1

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
CN-103360791-B Colorant dispersion 住友化学株式会社 2019-06-07 CN disclosed