SCHEMBL10453042

SCHEMBL10453042

O=CCC(C(=O)O)c1ccc(CCNS(=O)(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 1/20 0.49
TBXA2R P21731 2/20 0.47
LSS P48449 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
RAB9A P51151 1/20 0.45
CASP3 P42574 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PRMT1 Q99873 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TBXAS1 P24557 1/20 0.43
CA12 O43570 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL10451941 0.91 RAB9A (0.55) ALDH1A1MAPTTBXA2RLSSMEN1
SCHEMBL10452827 0.91 ALDH1A1 (0.54) ALDH1A1MAPTTBXA2RLSSMEN1
SCHEMBL10452830 0.90 TBXA2R (0.61) ALDH1A1MAPTTBXA2RMEN1KMT2A
SCHEMBL10452821 0.90 TAAR1 (0.57) ALDH1A1MAPTTBXA2RLSSMEN1
SCHEMBL10453024 0.87 TBXA2R (0.58) ALDH1A1MAPTTBXA2RLSSMEN1
SCHEMBL10453021 0.83 ALDH1A1 (0.59) ALDH1A1TBXA2RMEN1KMT2APRMT1
SCHEMBL10451939 0.81 AKR1C3 (0.55) ALDH1A1MAPTTBXA2RMEN1KMT2A
SCHEMBL10452720 0.79 NPSR1 (0.46) ALDH1A1KMT2ACA1CA2RAB9A
SCHEMBL10453026 0.79 TBXA2R (0.59) ALDH1A1MAPTTBXA2RMEN1KMT2A
SCHEMBL10452731 0.77 NSD2 (0.48) ALDH1A1MAPTKMT2AHSD17B10SMN1; SMN2

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 2 patents. 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
EP-0221344-A1 Sulphonyl-phenyl alkyl amines, process for their preparation and medicines Roche Diagnostics GmbH (DE) 1987-05-13 EP disclosed