SCHEMBL11367158

SCHEMBL11367158

CCOC(=O)COc1ccc(CCNS(=O)(=O)CCc2ccc(Cl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
P2RX3 P56373 1/20 0.48
SGMS1 Q86VZ5 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PTGS2 P35354 1/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
TBXA2R P21731 1/20 0.44
TBXAS1 P24557 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
SCHEMBL11359372 0.90 TBXA2R (0.53) GAANPSR1TSHRALDH1A1TP53
SCHEMBL9129860 0.87 TSHR (0.65) HTTGAANPSR1TSHRALDH1A1
SCHEMBL10460676 0.86 CYP4F2 (0.51) HTTGAAALDH1A1TBXA2RTBXAS1
SCHEMBL11104229 0.86 MAPT (0.54) TSHRALDH1A1SMN1; SMN2POLBTBXA2R
SCHEMBL11339358 0.85 TBXA2R (0.60) HTTALDH1A1SGMS1TBXA2RTBXAS1
SCHEMBL11364339 0.84 PPARA (0.51) HTTGAANPSR1TSHRALDH1A1
SCHEMBL11366850 0.84 PPARA (0.51) HTTGAANPSR1TSHRALDH1A1
SCHEMBL11361292 0.83 PTGS2 (0.53) HTTGAANPSR1TSHRALDH1A1
SCHEMBL11362199 0.82 GAA (0.58) HTTGAANPSR1TSHRALDH1A1
SCHEMBL10463756 0.81 KMT2A (0.52) HTTGAAALDH1A1

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