SCHEMBL11359372

SCHEMBL11359372

CCOC(=O)COc1ccc(CCNS(=O)(=O)CCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.53
TBXAS1 P24557 1/20 0.53
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TSHR P16473 3/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
SGMS1 Q86VZ5 3/20 0.48
LTA4H P09960 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MMP8 P22894 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 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
SCHEMBL11367158 0.90 HTT (0.54) TBXA2RTBXAS1GAANPSR1TSHR
SCHEMBL11111137 0.86 L3MBTL1 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11341512 0.86 TBXA2R (0.70) TBXA2RTBXAS1NPC1RAB9AALOX15
SCHEMBL11364339 0.85 PPARA (0.51) TBXA2RTBXAS1GAANPSR1TSHR
SCHEMBL11366850 0.85 PPARA (0.51) TBXA2RTBXAS1GAANPSR1TSHR
SCHEMBL11379516 0.85 TBXA2R (0.74) TBXA2RTBXAS1GAANPSR1TSHR
SCHEMBL11362199 0.83 GAA (0.58) TBXA2RTBXAS1GAANPSR1TSHR
SCHEMBL11361655 0.81 TBXA2R (0.50) TBXA2RTBXAS1GAANPSR1TSHR
SCHEMBL11113183 0.81 SMN1; SMN2 (0.58) GAANPC1RAB9AALDH1A1TP53
SCHEMBL11369869 0.81 TBXA2R (0.55) TBXA2RTBXAS1GAANPSR1TSHR

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