SCHEMBL25408657

SCHEMBL25408657

CCN(CCC(=O)OC)c1nc2ccc(C(=O)O)cc2s1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 14/20 0.68
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL25410164 0.86 TMPRSS15 (0.62) TMPRSS15SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL25407170 0.83 TMPRSS15 (0.68) TMPRSS15SMN1; SMN2KDM4ELMNANFKB1
SCHEMBL22974843 0.82 TMPRSS15 (1.00) TMPRSS15
SCHEMBL25408803 0.81 TMPRSS15 (0.69) TMPRSS15SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL22974832 0.78 TMPRSS15 (1.00) TMPRSS15
SCHEMBL25408392 0.77 TMPRSS15 (0.61) TMPRSS15
SCHEMBL25410262 0.77 TMPRSS15 (0.66) TMPRSS15SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL22974842 0.75 TMPRSS15 (1.00) TMPRSS15
SCHEMBL25438679 0.74 TMPRSS15 (0.63) TMPRSS15
SCHEMBL24988088 0.74 HTT (0.62) TMPRSS15SMN1; SMN2NPC1RAB9AKDM4E

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-3778577-B1 NOVEL COMPOUND EXHIBITING ENTEROPEPTIDASE INHIBITORY ACTIVITY LG CHEMICAL LTD (KR) 2023-08-30 EP claimed