SCHEMBL10464014

SCHEMBL10464014

O=C(O)CCCC(O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.69
TBXAS1 P24557 9/20 0.69
ALDH1A1 P00352 2/20 0.57
MAPT P10636 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL9660518 0.94 TBXA2R (0.66) TBXA2RTBXAS1ALDH1A1MAPTMEN1
SCHEMBL10460674 0.87 MEN1 (0.61) TBXA2RTBXAS1ALDH1A1MEN1KMT2A
SCHEMBL10462121 0.86 TBXA2R (0.60) TBXA2RTBXAS1ALDH1A1MEN1KMT2A
SCHEMBL9661163 0.86 TBXA2R (0.74) TBXA2RTBXAS1ALDH1A1MAPTMEN1
SCHEMBL9130164 0.84 TBXA2R (0.81) TBXA2RTBXAS1ALDH1A1MAPTMEN1
SCHEMBL10460297 0.83 ALDH1A1 (0.58) TBXA2RTBXAS1ALDH1A1MAPT
SCHEMBL9777965 0.82 ALDH1A1 (0.63) TBXA2RTBXAS1ALDH1A1MAPT
SCHEMBL8882148 0.82 TBXAS1 (1.00) TBXA2RTBXAS1
SCHEMBL10464058 0.82 TBXA2R (0.53) TBXA2RTBXAS1ALDH1A1MEN1KMT2A
SCHEMBL10460529 0.82 ALDH1A1 (0.72) TBXA2RTBXAS1ALDH1A1MAPTMEN1

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