SCHEMBL9835919

SCHEMBL9835919

COc1ccc(S(=O)(=O)NCCc2ccccc2OCC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
POLB P06746 1/20 0.60
TBXA2R P21731 1/20 0.59
TBXAS1 P24557 1/20 0.59
SGMS1 Q86VZ5 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
PKM P14618 1/20 0.51
MMP3 P08254 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 2/20 0.49
KCNA5 P22460 1/20 0.49
KCNH2 Q12809 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL9834437 0.89 TBXA2R (0.64) ALDH1A1TBXA2RTBXAS1SGMS1SMN1; SMN2
SCHEMBL9836262 0.88 TBXA2R (0.55) ALDH1A1TBXA2RTBXAS1TDP1MAPT
SCHEMBL9836406 0.86 TBXA2R (0.55) ALDH1A1TBXA2RTBXAS1SGMS1TDP1
SCHEMBL10773828 0.86 GAA (0.62) ALDH1A1POLBSGMS1SMN1; SMN2PKM
SCHEMBL11348800 0.81 TBXA2R (0.79) ALDH1A1POLBTBXA2RTBXAS1SGMS1
SCHEMBL21550423 0.76 GAA (0.52) ALDH1A1POLBSMN1; SMN2PKMTDP1
SCHEMBL7109149 0.76 ALDH1A1 (1.00) ALDH1A1POLBSGMS1SMN1; SMN2PKM
SCHEMBL30822632 0.75 CA12 (0.63) ALDH1A1POLBSMN1; SMN2KDM4ECYP3A4
SCHEMBL3535994 0.75 CA12 (0.63) ALDH1A1POLBSMN1; SMN2KDM4ECYP3A4
SCHEMBL1022817 0.75 ALDH1A1 (0.62) ALDH1A1POLBSMN1; SMN2GAAMAPT

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-0239907-B1 PHENOXYALKANECARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1991-09-18 EP disclosed