SCHEMBL14587489

SCHEMBL14587489

C=C(COC(N)=O)C(=C)COC(=O)NC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
CHRM2 P08172 3/20 0.38
CHRM4 P08173 3/20 0.38
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
CHRNA7 P36544 2/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 2/20 0.37
APEX1 P27695 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 1/20 0.37
HTR1A P08908 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL14587468 0.82 ALOX15 (0.46) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL14587495 0.82 CHRNB2 (0.39) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL14587524 0.79 TSHR (0.49) CHRNB2CHRNA4NFKB1ALOX15LMNA
SCHEMBL6250787 0.79 CHRNB2 (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL13324711 0.76
SCHEMBL15926084 0.75 ALDH1A1 (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL14587486 0.74 CHRNB2 (0.32) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL14587491 0.74 CHRNB2 (0.32) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL14587467 0.74 ALOX15 (0.39) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL14773506 0.74

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
US-7179907-B2 Antibiotic compounds SOMALOGIC OPERATING CO. INC. 2007-02-20 US disclosed
US-7179907-B2 Antibiotic compounds SOMALOGIC OPERATING CO. INC. 2007-02-20 US disclosed