SCHEMBL10461985

SCHEMBL10461985

CCOC(=O)CCCc1ccc(CCNS(=O)(=O)c2cccc(OC)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.58
ALDH1A1 P00352 6/20 0.50
MEP1B Q16820 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.48
SGMS1 Q86VZ5 1/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
RECQL P46063 2/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL11107020 0.94 AKR1C3 (0.60) AKR1C3ALDH1A1MEP1BSMN1; SMN2HTT
SCHEMBL7220855 0.87 MEP1B (0.58) AKR1C3ALDH1A1MEP1BSMN1; SMN2MAPT
SCHEMBL10463119 0.86 AKR1C3 (0.54) AKR1C3ALDH1A1SMN1; SMN2MAPTRECQL
SCHEMBL11106788 0.82 AKR1C3 (0.68) AKR1C3ALDH1A1MEP1BSMN1; SMN2HTT
SCHEMBL7751590 0.82 MEP1B (0.53) AKR1C3ALDH1A1MEP1BSMN1; SMN2HTT
SCHEMBL10460376 0.81 RECQL (0.49) AKR1C3ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL10462580 0.80 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HTTMAPTPOLB
SCHEMBL10463281 0.80 AKR1C3 (0.56) AKR1C3ALDH1A1SMN1; SMN2MAPTRECQL
SCHEMBL10462136 0.79 RAB9A (0.53) ALDH1A1SMN1; SMN2HTTSGMS1MAPT
SCHEMBL10462371 0.79 TBXA2R (0.59) AKR1C3ALDH1A1SMN1; SMN2HTTSGMS1

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-4948809-A TREATMENT OF AILMENTS DUE TO THROMBOCYTE AGGREGATION OR KIDNEY DYSFUNCTION BOEHRINGER MANNHEIM GMBH (DE) 1990-08-14 US disclosed