SCHEMBL28447170

SCHEMBL28447170

CON(C)C(=O)CCCCCOC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
ALOX15 P16050 1/20 0.38
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR1A P08908 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRNA7 P36544 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
DNM1 Q05193 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
SCHEMBL29053198 1.00 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
SCHEMBL28458633 0.85 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
SCHEMBL29991123 0.83 ALDH1A1 (0.41) LMNAALDH1A1KDM5AKDM4AKDM4C
SCHEMBL30185810 0.82 ALDH1A1 (0.55) LMNAALDH1A1TSHRDNM1KDM5A
SCHEMBL19852484 0.82 ALDH1A1 (0.55) LMNAALDH1A1TSHRDNM1KDM5A
SCHEMBL499415 0.80 ALDH1A1 (0.52) CHRNB2CHRNA4CHRNB4LMNAALDH1A1
SCHEMBL22205611 0.77 LMNA (0.44) CHRNB2CHRNA4CHRNB4LMNAALDH1A1
SCHEMBL1667458 0.76 ALDH1A1 (0.50) ALOX15ALDH1A1TSHRDNM1KDM5A
SCHEMBL2304549 0.76 ALDH1A1 (0.50) ALOX15ALDH1A1TSHRDNM1KDM5A
SCHEMBL8142273 0.76 ALDH1A1 (0.50) ALOX15ALDH1A1TSHRDNM1KDM5A

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-105593238-B Lysine-specific chemoenzymatic protein modification using microbial transglutaminase 诺华股份有限公司 2020-09-08 CN disclosed