SCHEMBL9836262

SCHEMBL9836262

Cc1ccc(S(=O)(=O)NCCc2ccccc2OCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.55
TBXAS1 P24557 1/20 0.55
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
USP2 O75604 1/20 0.48
MAPT P10636 1/20 0.47

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 0.91 TBXA2R (0.64) TBXA2RTBXAS1TDP1L3MBTL1ALDH1A1
SCHEMBL9835919 0.88 ALDH1A1 (0.60) TBXA2RTBXAS1TDP1ALDH1A1MAPT
SCHEMBL9836406 0.88 TBXA2R (0.55) TBXA2RTBXAS1TDP1ALDH1A1MAPT
SCHEMBL10774143 0.85 ALDH1A1 (0.55) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL30822632 0.82 CA12 (0.63) ALDH1A1MEN1KMT2A
SCHEMBL3535994 0.82 CA12 (0.63) ALDH1A1MEN1KMT2A
SCHEMBL21550423 0.78 GAA (0.52) TDP1ALDH1A1
SCHEMBL11371899 0.78 TBXA2R (0.79) TBXA2RTBXAS1ALDH1A1MEN1KMT2A
SCHEMBL9129388 0.77 TBXA2R (0.62) TBXA2RTBXAS1L3MBTL1ALDH1A1MEN1
SCHEMBL3535555 0.77 ALDH1A1 (0.60) L3MBTL1ALDH1A1MEN1KMT2ANPSR1

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