SCHEMBL9017695

SCHEMBL9017695

CNC(=O)C1CCCCC1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.54
GRM4 Q14833 2/20 0.49
PSEN1 P49768 4/20 0.44
PSEN2 P49810 4/20 0.44
APH1B Q8WW43 4/20 0.44
NCSTN Q92542 4/20 0.44
APH1A Q96BI3 4/20 0.44
PSENEN Q9NZ42 4/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL9779887 0.91 EPHX1 (0.41) EPHX1GRM4PSEN1PSEN2APH1B
SCHEMBL5909473 0.89 GRM4 (0.56) EPHX1GRM4ALDH1A1LMNAKDM4E
SCHEMBL9800227 0.81 EPHX1 (0.67) EPHX1GRM4PSEN1PSEN2APH1B
SCHEMBL1570434 0.81 EPHX1 (0.67) EPHX1GRM4PSEN1PSEN2APH1B
SCHEMBL9800070 0.81 EPHX1 (0.67) EPHX1GRM4PSEN1PSEN2APH1B
SCHEMBL13557474 0.81 EPHX1 (0.67) EPHX1GRM4PSEN1PSEN2APH1B
SCHEMBL17205447 0.81 EPHX1 (0.67) EPHX1GRM4PSEN1PSEN2APH1B
SCHEMBL23930751 0.80 GRM4 (0.54) GRM4ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL13544810 0.80 GRM4 (0.50) EPHX1GRM4PSEN1PSEN2APH1B
SCHEMBL17192652 0.80 GRM4 (0.54) GRM4ALDH1A1LMNAKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8120122-A None JP disclosed
JP-H08120122-A PRODUCTION OF MODIFIED UNSATURATED RUBBER-LIKE POLYMER NIPPON ZEON CO LTD 1996-05-14 JP disclosed