SCHEMBL10463166

SCHEMBL10463166

CCOC(=O)CCC(=O)c1ccc(CCNS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
LMNA P02545 2/20 0.54
TP53 P04637 1/20 0.54
RECQL P46063 1/20 0.53
AKR1C3 P42330 1/20 0.51
MAPT P10636 3/20 0.49
POLB P06746 1/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
TBXA2R P21731 1/20 0.48
TBXAS1 P24557 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL10461125 0.92 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1LMNATP53
SCHEMBL10461761 0.91 TBXA2R (0.56) ALDH1A1KMT2AMEN1LMNAAKR1C3
SCHEMBL10463160 0.91 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1LMNARECQL
SCHEMBL9718385 0.91 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1LMNATP53
SCHEMBL10463248 0.90 ALDH1A1 (0.64) ALDH1A1KMT2ALMNAAKR1C3MAPT
SCHEMBL9660574 0.86 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1LMNATP53
SCHEMBL10461966 0.85 TBXA2R (0.54) ALDH1A1KMT2AMEN1LMNAAKR1C3
SCHEMBL10461595 0.85 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1LMNATP53
SCHEMBL11109071 0.84 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1LMNATP53
SCHEMBL10463635 0.83 AKR1C3 (0.53) ALDH1A1KMT2AMEN1LMNAAKR1C3

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