SCHEMBL10453024

SCHEMBL10453024

O=CCC(C(=O)O)c1ccc(CCNS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.58
LSS P48449 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TBXAS1 P24557 4/20 0.48
PRMT1 Q99873 2/20 0.48
AKR1C3 P42330 1/20 0.48
PPARG P37231 3/20 0.47
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
SGMS1 Q86VZ5 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL10452830 0.97 TBXA2R (0.61) TBXA2RMEN1KMT2ATBXAS1PRMT1
SCHEMBL10453021 0.90 ALDH1A1 (0.59) TBXA2RMEN1KMT2ATBXAS1PRMT1
SCHEMBL10451941 0.87 RAB9A (0.55) TBXA2RLSSMEN1KMT2APPARG
SCHEMBL10453042 0.87 ALDH1A1 (0.49) TBXA2RLSSMEN1KMT2ATBXAS1
SCHEMBL10452827 0.87 ALDH1A1 (0.54) TBXA2RLSSMEN1KMT2ATBXAS1
SCHEMBL10453026 0.86 TBXA2R (0.59) TBXA2RMEN1KMT2ATBXAS1PRMT1
SCHEMBL10452821 0.86 TAAR1 (0.57) TBXA2RLSSMEN1KMT2ATBXAS1
SCHEMBL10451939 0.84 AKR1C3 (0.55) TBXA2RMEN1KMT2APRMT1AKR1C3
SCHEMBL10451967 0.84 TBXA2R (0.44) TBXA2RMEN1KMT2ATBXAS1PRMT1
SCHEMBL10452836 0.82 TBXA2R (0.62) TBXA2RMEN1KMT2ATBXAS1PRMT1

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-0221344-B1 SULPHONYL-PHENYL ALKYL AMINES, PROCESS FOR THEIR PREPARATION AND MEDICINES Roche Diagnostics GmbH (DE) 1990-05-23 EP disclosed