SCHEMBL22018049

SCHEMBL22018049

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.37
GRM5 P41594 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
MLYCD O95822 1/20 0.35
XDH P47989 5/20 0.35
HPGDS O60760 1/20 0.34
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NAMPT P43490 1/20 0.33
BRD4 O60885 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GABRA5 P31644 3/20 0.32

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
SCHEMBL22322562 0.83 NPC1 (0.38) LMNAHPGDSMAPTNPSR1GABRA5
SCHEMBL22018299 0.81 FDPS (0.36) FDPSGRM5ALDH1A1LMNACYP1A2
SCHEMBL22336364 0.78 CA2 (0.40) KDM4EHPGD
Hydrochloric Acid SCHEMBL22322614 0.77 CA2 (0.39) LMNAKDM4EHPGD
SCHEMBL22018301 0.77 HDAC4 (0.39) ALDH1A1LMNAHPGDGABRA5
SCHEMBL22018320 0.77 HPGD (0.46) ALDH1A1LMNAKDM4ENAMPTHPGD
SCHEMBL22322613 0.76 LMNA (0.35) GRM5LMNAKDM4EHPGD
SCHEMBL22018100 0.75 KDM4E (0.32) GRM5LMNAKDM4EHPGD
SCHEMBL22018297 0.72 BAZ2B (0.39) GRM5KDM4EBRD4HPGD
SCHEMBL22018099 0.70 MAPK1 (0.35) LMNACYP1A2CYP2C19HPGDSKDM4E

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-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed