SCHEMBL6661824

SCHEMBL6661824

CCC(=O)Oc1c(NC(=O)[C@H](CC(C)C)NC(=O)c2cccc3c2oc2ccccc23)cccc1OC(=O)N1CCN(C(=O)c2ccco2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 3/20 0.38
SHMT2 P34897 1/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 4/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 3/20 0.38
MEN1 O00255 2/20 0.38
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPK10 P53779 1/20 0.37
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL6664985 0.80 CASP1 (0.40) ALDH1A1KDM4ETSHRSHMT2MAPT
SCHEMBL6665539 0.80 SMN1; SMN2 (0.39) ALDH1A1TSHRMAPTKMT2AMEN1
SCHEMBL6479549 0.79 ITGB1 (0.49) ALDH1A1TSHRSHMT2MAPTLMNA
SCHEMBL6664458 0.79 TSHR (0.42) ALDH1A1TSHRSHMT2LMNAKMT2A
SCHEMBL6661977 0.78 CASP1 (0.47) ALDH1A1TSHRMAPTKMT2AMEN1
SCHEMBL6474249 0.71 ITGB1 (0.52)
SCHEMBL6479056 0.70 ITGB1 (0.54)
SCHEMBL6474096 0.68 ITGB1 (0.51) KDM4EKMT2ASMN1; SMN2
SCHEMBL6480757 0.66 ITGB1 (0.51) MAPK1
SCHEMBL6473111 0.66 ITGB1 (0.47) TSHRKMT2AMAPK1MEN1

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

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