SCHEMBL6661977

SCHEMBL6661977

CCC(=O)Oc1c(NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C2CCCCC2)cccc1OC(=O)N1CCN(C(=O)c2ccco2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.47
CASP3 P42574 4/20 0.47
CASP7 P55210 4/20 0.47
CASP6 P55212 4/20 0.47
CASP8 Q14790 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6665539 0.87 SMN1; SMN2 (0.39) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6664985 0.85 CASP1 (0.40) CASP1CASP3CASP7CASP6CASP8
SCHEMBL7538573 0.83 CASP1 (0.51) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6664458 0.82 TSHR (0.42) SMN1; SMN2TSHRKMT2AMEN1ALDH1A1
SCHEMBL6532390 0.81 CASP1 (0.49) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6661824 0.78 ALDH1A1 (0.39) SMN1; SMN2MAPTTSHRKMT2AMEN1
SCHEMBL6479150 0.69 CASP1 (0.52) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6478370 0.68 KMT2A (0.47) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6472835 0.68 CASP1 (0.51) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6474104 0.67 KMT2A (0.45) CASP1CASP3CASP7CASP6CASP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140837-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2004-08-18 EP claimed
EP-1140837-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
EP-1140837-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2001-10-10 EP disclosed
WO-2000037444-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2000-06-29 WO disclosed