SCHEMBL9709745

SCHEMBL9709745

C=CCC(COS(C)(=O)=O)OCCCOCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
TEAD3 Q99594 2/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
CTSB P07858 1/20 0.34
POLB P06746 1/20 0.34
PLA2G10 O15496 1/20 0.33
PLA2G2A P14555 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA7 P43166 1/20 0.33
NAAA Q02083 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9709525 0.81 TDP1 (0.41) TDP1TEAD3MAPTMEN1KMT2A
SCHEMBL9709529 0.81 TDP1 (0.41) TDP1TEAD3MAPTMEN1KMT2A
SCHEMBL9709636 0.79 TEAD3 (0.41) TDP1TEAD3L3MBTL1POLBCA1
SCHEMBL9709696 0.77 TEAD3 (0.44) TDP1TEAD3MAPTMEN1KMT2A
SCHEMBL17202064 0.77 PLA2G2A (0.52) PLA2G10PLA2G2A
SCHEMBL2076982 0.77 ALDH1A1 (0.47) TDP1TEAD3L3MBTL1ALDH1A1CA1
SCHEMBL20294565 0.75 ALDH1A1 (0.45) TDP1L3MBTL1ALDH1A1CA1CA2
SCHEMBL9709157 0.75 TEAD3 (0.40) TEAD3MAPTALDH1A1NAAAHTT
SCHEMBL19868233 0.75 CA1 (0.42) TDP1MAPTPLA2G10PLA2G2ACA1
SCHEMBL27032342 0.74 L3MBTL1 (0.37) TDP1L3MBTL1CTSBALDH1A1CA1

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
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed