SCHEMBL9130450

SCHEMBL9130450

O=C(O)Cc1ccc(CCNS(=O)(=O)C(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.53
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
AKR1C3 P42330 3/20 0.47
AKR1B1 P15121 1/20 0.46
TBXAS1 P24557 1/20 0.45
ABCC4 O15439 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45
HTT P42858 1/20 0.45
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CA7 P43166 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA5A P35218 1/20 0.44

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
SCHEMBL10461554 0.79 TBXA2R (0.76) TBXA2RALDH1A1MAPTAKR1C3TBXAS1
SCHEMBL11108606 0.78 L3MBTL1 (0.59) TBXA2RALDH1A1MAPTL3MBTL1AKR1B1
SCHEMBL11109419 0.76 TBXA2R (0.60) TBXA2RALDH1A1MAPTAKR1B1TBXAS1
SCHEMBL11357235 0.75 ESRRG (0.68) ALDH1A1L3MBTL1HDAC2HDAC8HDAC6
SCHEMBL4163523 0.74 MMP12 (0.50) MAPTL3MBTL1GAATSHRMAPK1
SCHEMBL11105698 0.73 TBXA2R (0.56) TBXA2RALDH1A1MAPTL3MBTL1AKR1C3
SCHEMBL11107861 0.73 GAA (0.63) TBXA2RALDH1A1MAPTAKR1B1TBXAS1
SCHEMBL11107857 0.73 GAA (0.63) TBXA2RALDH1A1MAPTAKR1B1TBXAS1
SCHEMBL9718382 0.73 KMT2A (0.57) TBXA2RALDH1A1MAPTL3MBTL1AKR1C3
SCHEMBL11108980 0.72 TBXA2R (0.75) TBXA2RALDH1A1MAPTAKR1C3TBXAS1

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
US-5446065-A Thromboxane antagonists BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 US disclosed