SCHEMBL22336364

SCHEMBL22336364

CC(NC(=O)c1cc[n+](CCC(=O)O)nc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.40
CA1 P00915 4/20 0.40
LTA4H P09960 3/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
GPR132 Q9UNW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
DGAT1 O75907 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MME P08473 1/20 0.34
ANPEP P15144 1/20 0.34
ECE1 P42892 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BBOX1 O75936 1/20 0.33
EGLN1 Q9GZT9 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
Hydrochloric Acid SCHEMBL22322614 0.99 CA2 (0.39) CA2CA1LTA4HCA12CA9
SCHEMBL22322613 0.90 LMNA (0.35) CA2CA1KDM4EHPGD
SCHEMBL22322562 0.89 NPC1 (0.38) CA2CA1MEN1KMT2A
SCHEMBL22018301 0.86 HDAC4 (0.39) HPGDMEN1KMT2A
SCHEMBL22018100 0.84 KDM4E (0.32) CA2CA1KDM4EHPGD
SCHEMBL22018320 0.83 HPGD (0.46) KDM4EHPGDMEN1KMT2A
SCHEMBL22018297 0.82 BAZ2B (0.39) CA2KDM4EHPGDEGLN1
SCHEMBL22018308 0.82 LMNA (0.34) CA2CA1CA12CA9KDM4E
SCHEMBL22018322 0.81 ACR (0.38) HPGDMEN1KMT2A
SCHEMBL22018099 0.80 MAPK1 (0.35) KDM4EHPGDMEN1KMT2A

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