SCHEMBL9259281

SCHEMBL9259281

CCOC(=O)COc1ccc(CCNC(C)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.65
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 1/20 0.58
GLA P06280 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KDM4E B2RXH2 1/20 0.53
F13A1 P00488 1/20 0.53
HTT P42858 2/20 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
SCHEMBL11375704 0.92 ALDH1A1 (0.56) ACACBSMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL11200044 0.86 GAA (0.56) SMN1; SMN2KMT2AGAANPSR1
SCHEMBL3008925 0.86 GAA (0.56) SMN1; SMN2ALDH1A1GLAKMT2AGAA
SCHEMBL12475741 0.85 ACACB (0.86) ACACBSMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL8835699 0.83 GLA (0.55) ACACBGLAKMT2AGAANPSR1
SCHEMBL12001427 0.81 ACACB (0.79) ACACBSMN1; SMN2ALDH1A1KDM4EF13A1
SCHEMBL11362199 0.81 GAA (0.58) ACACBSMN1; SMN2ALDH1A1GLAKMT2A
SCHEMBL6375038 0.81 CYP4F2 (0.66) SMN1; SMN2ALDH1A1GAANPSR1KDM4E
SCHEMBL7723659 0.80 GAA (0.59) SMN1; SMN2ALDH1A1GAANPSR1KDM4E
SCHEMBL11817150 0.80 PPARA (0.63) ALDH1A1GAANPSR1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5407951-A Anticoagulants, muscle relaxants, bronchodilators BOEHRINGER MANNHEIM GMBH (DE) 1995-04-18 US disclosed
US-5140038-A Thromboxane A2 antagonists BOEHRINGER MANNHEIM GMBH (DE) 1992-08-18 US disclosed
US-4258058-A Phenoxyalkylcarboxylic acid compounds and thrombocyte-aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1981-03-24 US disclosed