SCHEMBL29404663

SCHEMBL29404663

CONC(=O)C1CCCCC1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
GRM4 Q14833 2/20 0.46
PSEN1 P49768 4/20 0.42
PSEN2 P49810 4/20 0.42
APH1B Q8WW43 4/20 0.42
NCSTN Q92542 4/20 0.42
APH1A Q96BI3 4/20 0.42
PSENEN Q9NZ42 4/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9017695 0.79 EPHX1 (0.54) EPHX1GRM4PSEN1PSEN2APH1B
SCHEMBL24209275 0.79 EPHX1 (0.54) EPHX1GRM4PSEN1PSEN2APH1B
SCHEMBL9800070 0.78 EPHX1 (0.67) EPHX1GRM4PSEN1PSEN2APH1B
SCHEMBL13557474 0.78 EPHX1 (0.67) EPHX1GRM4PSEN1PSEN2APH1B
SCHEMBL1570434 0.78 EPHX1 (0.67) EPHX1GRM4PSEN1PSEN2APH1B
SCHEMBL9800227 0.78 EPHX1 (0.67) EPHX1GRM4PSEN1PSEN2APH1B
SCHEMBL17205447 0.78 EPHX1 (0.67) EPHX1GRM4PSEN1PSEN2APH1B
SCHEMBL15128791 0.75 ADAM10 (0.32) EPHX1PSEN1PSEN2APH1BNCSTN
SCHEMBL4818915 0.74 TAAR1 (0.39) EPHX1GRM4PSEN1PSEN2APH1B
SCHEMBL13527464 0.74 HDAC8 (0.50) EPHX1ALDH1A1LMNAKDM4ETSHR

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
CN-110114349-B Thiophene derivatives as antiviral agents 埃尼奥制药公司 2022-03-15 CN disclosed