SCHEMBL9407993

SCHEMBL9407993

CON(c1ccc(CCC(=O)OCc2ccccc2)cc1)S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.45
MAPT P10636 2/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALOX5 P09917 1/20 0.42
APP P05067 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CDC25B P30305 1/20 0.40
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL28016314 0.80 TDP1 (0.51) TDP1LMNAMAPTALDH1A1MAPK1
SCHEMBL304176 0.78 TDP1 (0.78) TDP1LMNAMAPTALDH1A1MAPK1
SCHEMBL20224967 0.78 TDP1 (0.58) TDP1LMNAMAPTALDH1A1MAPK1
SCHEMBL28207503 0.77 TDP1 (0.75) TDP1LMNAMAPTALDH1A1MAPK1
Bicarbonate SCHEMBL7699565 0.77 TDP1 (0.75) TDP1LMNAMAPTALDH1A1MAPK1
Ammonia Solution, Strong SCHEMBL28588274 0.77 TDP1 (0.75) TDP1LMNAMAPTALDH1A1MAPK1
SCHEMBL26023562 0.76 MAPT (0.68) TDP1LMNAMAPTALDH1A1L3MBTL1
SCHEMBL305162 0.76 MAPT (0.68) TDP1LMNAMAPTALDH1A1L3MBTL1
SCHEMBL27995933 0.76 L3MBTL1 (0.48) TDP1LMNAMAPTALDH1A1L3MBTL1
SCHEMBL13950834 0.76 TDP1 (0.55) TDP1LMNAMAPTALDH1A1MAPK1

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-0602524-A1 Chemiluminescence marked sequences and their use in sequence testing HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP disclosed