SCHEMBL11369869

SCHEMBL11369869

CCOC(=O)COc1ccc(CCNS(=O)(=O)c2ccccc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.55
TBXAS1 P24557 1/20 0.55
TSHR P16473 4/20 0.54
ALDH1A1 P00352 2/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
SGMS1 Q86VZ5 6/20 0.48
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 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
SCHEMBL11342719 0.87 TBXA2R (0.72) TBXA2RTBXAS1TSHRALDH1A1GAA
SCHEMBL11361752 0.87 NPY5R (0.51) TBXA2RTBXAS1TSHRALDH1A1TP53
SCHEMBL10339928 0.86 TBXA2R (0.53) TBXA2RTBXAS1TSHRALDH1A1TP53
SCHEMBL11361652 0.86 SMN1; SMN2 (0.53) TBXA2RTBXAS1TSHRALDH1A1TP53
SCHEMBL11379516 0.86 TBXA2R (0.74) TBXA2RTBXAS1TSHRALDH1A1TP53
SCHEMBL11111372 0.86 CA12 (0.48) TBXA2RTBXAS1TSHRALDH1A1NPSR1
SCHEMBL10462102 0.86 CYP4F2 (0.51) ALDH1A1NPSR1SMN1; SMN2
SCHEMBL11362199 0.82 GAA (0.58) TBXA2RTBXAS1TSHRALDH1A1TP53
SCHEMBL11372605 0.82 ALDH1A1 (0.67) TBXA2RTBXAS1TSHRALDH1A1TP53
SCHEMBL11359372 0.81 TBXA2R (0.53) TBXA2RTBXAS1TSHRALDH1A1TP53

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-4258058-A Phenoxyalkylcarboxylic acid compounds and thrombocyte-aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1981-03-24 US disclosed