SCHEMBL6866925

SCHEMBL6866925

N#CCNC(=O)CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 6/20 0.46
KDM2A Q9Y2K7 6/20 0.46
KDM4E B2RXH2 4/20 0.46
KDM5C P41229 4/20 0.46
EGLN1 Q9GZT9 4/20 0.46
KDM6B O15054 2/20 0.46
FOLH1 Q04609 1/20 0.46
KDM7A Q6ZMT4 1/20 0.45
LMNA P02545 2/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.41
MCL1 Q07820 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39
SLC15A2 Q16348 1/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL10631585 0.91 MCL1 (0.46) MCL1CTSLCTSS
SCHEMBL10628189 0.81 FAAH (0.46) MCL1SMN1; SMN2
SCHEMBL29952905 0.81 MCL1 (0.43) MCL1CTSLCTSS
SCHEMBL10630200 0.81 TSHR (0.43) KDM4EMCL1SMN1; SMN2CTSLCTSS
SCHEMBL2561244 0.81 FAAH (0.40) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL20263736 0.80 MCL1 (0.41) KDM4EMCL1CTSLCTSS
SCHEMBL6442524 0.79 CTSS (0.35) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL2442181 0.79 PHF8 (0.48) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL10634427 0.79 FAAH (0.50) MCL1SMN1; SMN2
SCHEMBL15468338 0.79

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
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP disclosed