SCHEMBL22336366

SCHEMBL22336366

CNC(=O)CC[n+]1ccc(C(=O)O)cn1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 10/20 0.37
HCAR2 Q8TDS4 3/20 0.35
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.32
P4HA1 P13674 1/20 0.32
P4HTM Q9NXG6 1/20 0.32
TP53 P04637 1/20 0.32
NR4A2 P43354 1/20 0.32
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL22322800 0.90 HCAR3 (0.31) HCAR3HCAR2
SCHEMBL22336368 0.83 P4HTM (0.36) HCAR3HCAR2POLBMAPTALDH1A1
Hydrochloric Acid SCHEMBL22322580 0.81 HCAR2 (0.39) HCAR3HCAR2POLBMAPTALDH1A1
SCHEMBL22018297 0.79 BAZ2B (0.39) POLBKDM4E
SCHEMBL22322801 0.79
SCHEMBL22336301 0.77 HCAR3 (0.43) HCAR3HCAR2MAPTALDH1A1TP53
SCHEMBL22336268 0.76 HCAR3 (0.44) HCAR3HCAR2MAPTALDH1A1P4HA1
Hydrochloric Acid SCHEMBL22322538 0.76 HCAR3 (0.42) HCAR3HCAR2MAPTALDH1A1TP53
SCHEMBL22336373 0.75 MEN1 (0.48) HCAR3MAPTALDH1A1TP53KMT2A
SCHEMBL22322578 0.71 KDM4E (0.33) POLBNR4A2KDM4E

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
WO-2020161248-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO disclosed