SCHEMBL29068855

SCHEMBL29068855

N#Cc1cccc(CO[PH](=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 1/20 0.50
MRGPRX4 Q96LA9 4/20 0.47
GLA P06280 1/20 0.44
MEP1A Q16819 1/20 0.43
MEP1B Q16820 1/20 0.43
MAOB P27338 4/20 0.42
MAOA P21397 2/20 0.42
VNN1 O95497 2/20 0.42
LMNA P02545 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALKBH1 Q13686 1/20 0.41
KCNH2 Q12809 1/20 0.41
IDH1 O75874 1/20 0.41

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
SCHEMBL29068854 0.87 FFAR1 (0.49) FFAR1FFAR4MRGPRX4GLAMEP1A
SCHEMBL9849384 0.81 MMP3 (0.47) FFAR1FFAR4LMNA
SCHEMBL8986283 0.80 IDO1 (0.47) MAOB
SCHEMBL23881698 0.78 GLA (0.47) FFAR1FFAR4MRGPRX4GLAMEP1A
SCHEMBL30558668 0.78 MRGPRX4 (0.53) FFAR1FFAR4MRGPRX4GLAMEP1A
SCHEMBL29042418 0.78 MRGPRX4 (0.53) FFAR1FFAR4MRGPRX4GLAMEP1A
SCHEMBL27729330 0.77 GLA (0.51) FFAR1FFAR4MRGPRX4GLAMEP1A
SCHEMBL6668868 0.77 MRGPRX4 (0.55) FFAR1FFAR4MRGPRX4GLAMEP1A
SCHEMBL1823857 0.75 MRGPRX4 (0.50) FFAR1FFAR4MRGPRX4GLAMEP1A
SCHEMBL9849212 0.75 CYP4F2 (0.36) MRGPRX4

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-116568668-A Pentaneamidine analogues and methods of treating infections 美商奥润沙公司 2023-08-08 CN disclosed