SCHEMBL25396641

SCHEMBL25396641

NCCCCC(NCC(N)=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.51
GSR P00390 1/20 0.47
RNPEP Q9H4A4 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
SLC6A5 Q9Y345 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
GGT1 P19440 1/20 0.42
CPB2 Q96IY4 9/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TLR2 O60603 1/20 0.37

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
SCHEMBL20528926 1.00 FOLH1 (0.51) FOLH1GSRRNPEPMAOAMAOB
SCHEMBL50111 0.87 FOLH1 (0.57) FOLH1GSRRNPEPSLC6A5MMP2
SCHEMBL43620 0.87 FOLH1 (0.57) FOLH1GSRRNPEPSLC6A5MMP2
SCHEMBL901403 0.85 FOLH1 (0.56) FOLH1GSRRNPEPSLC6A5MMP2
SCHEMBL380767 0.85 FOLH1 (0.56) FOLH1GSRRNPEPSLC6A5MMP2
SCHEMBL28109489 0.85 FOLH1 (0.56) FOLH1GSRRNPEPSLC6A5MMP2
Water SCHEMBL380638 0.85 FOLH1 (0.56) FOLH1GSRRNPEPSLC6A5MMP2
SCHEMBL20528922 0.85 FOLH1 (0.51) FOLH1GSRRNPEPSLC6A5MMP2
SCHEMBL1455718 0.85 FOLH1 (0.51) FOLH1GSRRNPEPSLC6A5MMP2
Water SCHEMBL28073715 0.85 FOLH1 (0.56) FOLH1GSRRNPEPSLC6A5MMP2

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-20230287383-A1 PYRROLYSYL-tRNA SYNTHETASE VARIANTS AND USES THEREOF ENGENES BIOTECH GMBH (AT) 2023-09-14 US claimed
US-20230287383-A1 PYRROLYSYL-tRNA SYNTHETASE VARIANTS AND USES THEREOF ENGENES BIOTECH GMBH (AT) 2023-09-14 US disclosed