SCHEMBL20145974

SCHEMBL20145974

C[N+](C)(CCCNC(N)=O)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
APEX1 P27695 1/20 0.35
BBOX1 O75936 5/20 0.35
CBLB Q13191 3/20 0.33
ADRA1A P35348 1/20 0.32
PRMT1 Q99873 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL10002231 0.83 ADRA1A (0.50) TSHRKMT2AATMALDH1A1LMNA
SCHEMBL13521242 0.82 CBLB (0.39) KMT2AATMBBOX1CBLBKDM4E
SCHEMBL20145843 0.82 KMT2A (0.34) TSHRKMT2AATMCBLB
SCHEMBL19165102 0.81 BBOX1 (0.39) TSHRKMT2AATMALDH1A1LMNA
SCHEMBL28022583 0.78 ACHE (0.43) TSHRKMT2ALMNAAPEX1BBOX1
SCHEMBL3958580 0.77 ZDHHC20 (0.50) TSHRKMT2AATMALDH1A1LMNA
SCHEMBL154890 0.77 KMT2A (0.36) TSHRKMT2AATMALDH1A1LMNA
SCHEMBL19169923 0.77 ALDH1A1 (0.55) TSHRKMT2AATMALDH1A1LMNA
SCHEMBL9973818 0.77 TSHR (0.52) TSHRALDH1A1LMNAAPEX1BBOX1
SCHEMBL19786771 0.76 EPHX1 (0.61) ALDH1A1PRMT1

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-3320776-A1 COMPOSITIONS AND METHODS FOR CONTROLLING FUNGAL AND BACTERIAL DISEASES IN PLANTS Bayer CropScience LP (US) 2018-05-16 EP disclosed