SCHEMBL10462201

SCHEMBL10462201

O=C(O)CCC(=O)c1ccc(CCCNS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
TP53 P04637 1/20 0.64
GAA P10253 1/20 0.64
TBXA2R P21731 7/20 0.60
TBXAS1 P24557 8/20 0.53
MAPT P10636 1/20 0.53
PRMT1 Q99873 1/20 0.53

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
SCHEMBL9659280 0.93 TBXA2R (0.70) ALDH1A1TBXA2RTBXAS1MAPTPRMT1
SCHEMBL10460529 0.89 ALDH1A1 (0.72) ALDH1A1TP53GAATBXA2RTBXAS1
SCHEMBL10462267 0.88 TBXA2R (0.67) ALDH1A1TBXA2RTBXAS1MAPTPRMT1
SCHEMBL10463575 0.88 ALDH1A1 (0.61) ALDH1A1TP53GAATBXA2RPRMT1
SCHEMBL10463304 0.85 TBXA2R (0.55) ALDH1A1TP53TBXA2RTBXAS1PRMT1
SCHEMBL10461595 0.85 ALDH1A1 (0.54) ALDH1A1TP53GAATBXA2RTBXAS1
SCHEMBL9661163 0.83 TBXA2R (0.74) ALDH1A1TP53GAATBXA2RTBXAS1
SCHEMBL9777971 0.81 TBXA2R (0.59) ALDH1A1TBXA2RTBXAS1MAPTPRMT1
SCHEMBL10463031 0.81 ALDH1A1 (0.64) ALDH1A1TBXA2RTBXAS1MAPTPRMT1
SCHEMBL9659259 0.81 ALDH1A1 (0.71) ALDH1A1TBXA2RTBXAS1MAPTPRMT1

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