SCHEMBL22018305

SCHEMBL22018305

CC(C)N(C(=O)c1cc[n+](CCS(=O)(=O)O)nc1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
MCOLN3 Q8TDD5 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 2/20 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
SCHEMBL22018048 0.88 GABRA5 (0.32)
SCHEMBL22018047 0.83 HPGD (0.35) HPGDMCOLN3KDM4EALDH1A1LMNA
SCHEMBL22018299 0.81 FDPS (0.36) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL22018051 0.80 KMT2A (0.44) HPGDKDM4E
SCHEMBL22018296 0.79 ALDH1A1 (0.30) HPGDALDH1A1
SCHEMBL22018300 0.75 LMNA (0.39) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL22018658 0.71 GABRA5 (0.35) KDM4E
SCHEMBL22018656 0.68 KMT2A (0.42) HPGDKDM4EALDH1A1LMNANPSR1
SCHEMBL24145400 0.67 SCN9A (0.32)
SCHEMBL20753315 0.67 PABPC1 (0.35) ALDH1A1LMNAMAPT

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