SCHEMBL9617068

SCHEMBL9617068

O=C(O)CNC(=O)COc1cccc(CCNS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SGMS1 Q86VZ5 11/20 0.63
TBXA2R P21731 1/20 0.63
TBXAS1 P24557 1/20 0.63
AKR1C3 P42330 3/20 0.56
POLB P06746 1/20 0.51
ALDH1A1 P00352 1/20 0.49
LMNA P02545 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
SCHEMBL9850482 0.92 SGMS1 (0.66) SGMS1TBXA2RTBXAS1
SCHEMBL9813017 0.91 TBXA2R (0.75) SGMS1TBXA2RTBXAS1AKR1C3ALDH1A1
SCHEMBL9812947 0.84 TBXA2R (0.65) SGMS1TBXA2RTBXAS1AKR1C3ALDH1A1
SCHEMBL9129394 0.83 SGMS1 (0.74) SGMS1ALDH1A1LMNA
SCHEMBL9813009 0.83 TBXA2R (0.63) SGMS1TBXA2RTBXAS1AKR1C3ALDH1A1
SCHEMBL9127503 0.82 TBXA2R (0.69) SGMS1TBXA2RTBXAS1AKR1C3
SCHEMBL9129388 0.82 TBXA2R (0.62) SGMS1TBXA2RTBXAS1AKR1C3ALDH1A1
SCHEMBL9128686 0.82 TBXA2R (0.62) SGMS1TBXA2RTBXAS1AKR1C3ALDH1A1
SCHEMBL9812942 0.82 TBXA2R (0.62) SGMS1TBXA2RTBXAS1AKR1C3ALDH1A1
SCHEMBL10773841 0.81 ALDH1A1 (0.66) SGMS1TBXA2RTBXAS1AKR1C3ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4210671-A None JP disclosed
JP-H04210671-A NEW PHENOXYALKYLCAROXYLIC ACID AMIDE AND PHARMACEUTICAL COMPOSITION USING SAME BOEHRINGER MANNHEIM GMBH 1992-07-31 JP disclosed
EP-0435085-A1 Phenoxyalkylcarboxylic amides, process for their preparation and drug containing them Roche Diagnostics GmbH (DE) 1991-07-03 EP disclosed