SCHEMBL22018047

SCHEMBL22018047

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
MCOLN3 Q8TDD5 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 2/20 0.32
USP5 P45974 1/20 0.31
TSHR P16473 2/20 0.30
PKM P14618 1/20 0.30
CYP2D6 P10635 1/20 0.30
HSD17B10 Q99714 1/20 0.30
BCL2L1 Q07817 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL22018658 0.88 GABRA5 (0.35) KDM4EPOLBUSP5
SCHEMBL22018305 0.83 HPGD (0.34) HPGDMCOLN3KDM4EALDH1A1LMNA
SCHEMBL22017867 0.80 KDM4E (0.32) KDM4EPOLB
SCHEMBL22336368 0.79 P4HTM (0.36) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL22018295 0.79 KDM4E (0.47) KDM4EPOLBTSHR
Hydrochloric Acid SCHEMBL22322580 0.78 HCAR2 (0.39) HPGDKDM4EALDH1A1MAPTPOLB
Bromide SCHEMBL28625205 0.78 KDM4E (0.46) KDM4EPOLBTSHR
Bromide SCHEMBL28625208 0.78 KDM4E (0.46) KDM4EPOLBTSHR
SCHEMBL22017881 0.77 BRD4 (0.33)
SCHEMBL22322578 0.77 KDM4E (0.33) KDM4EPOLBTSHRCYP2D6HSD17B10

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