SCHEMBL29406597

SCHEMBL29406597

C=C(C)c1ccc(C2OCCO2)c([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
TSHR P16473 2/20 0.37
CASP6 P55212 1/20 0.36
HCAR3 P49019 5/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
VCAM1 P19320 1/20 0.35
LMNA P02545 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL29404544 0.87 MAPT (0.46) GAATSHRCASP6HCAR3ALDH1A1
SCHEMBL14692478 0.83 CASP6 (0.57) TSHRCASP6HCAR3LMNA
SCHEMBL14691018 0.81 VCAM1 (0.53) GAAALDH1A1MAPTKMT2AVCAM1
SCHEMBL14253769 0.76 MEN1 (0.49) GAATSHRALDH1A1MAPTKMT2A
SCHEMBL14706206 0.76 CASP6 (0.35) GAATSHRCASP6HCAR3ALDH1A1
SCHEMBL25385922 0.75 S100A4 (0.41) HTTMAPTKDM4EKMT2ALMNA
SCHEMBL29406184 0.75 TDP1 (0.47) ALDH1A1HTTMAPTVCAM1
SCHEMBL14253773 0.75 ALDH1A1 (0.51) GAATSHRALDH1A1HTTMAPT
SCHEMBL29404113 0.75 MAPT (0.41) HCAR3ALDH1A1HTTMAPTKMT2A
SCHEMBL29406600 0.74 ALDH1A1 (0.41) HCAR3ALDH1A1HTTMAPTKMT2A

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-2022053567-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-03-17 WO disclosed