SCHEMBL7696993

SCHEMBL7696993

CCCC(C)OC(=O)CC(N)CC(=O)c1ccc(C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.42
TAS1R1 Q7RTX1 5/20 0.42
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 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
SCHEMBL8063159 0.83 KMT2A (0.46) MAPTLMNAL3MBTL1ALDH1A1HPGD
SCHEMBL7696991 0.78 TAS1R3 (0.57) TAS1R3TAS1R1LMNAALDH1A1HPGD
SCHEMBL7689139 0.77 ESR1 (0.46) MAPTALDH1A1TSHR
SCHEMBL7674818 0.77 ESR1 (0.46) MAPTALDH1A1TSHR
SCHEMBL7694919 0.77 MAPT (0.37) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL8064604 0.76 ALDH1A1 (0.46) MAPTLMNAL3MBTL1ALDH1A1HPGD
SCHEMBL8072732 0.75 ALDH1A1 (0.51) MAPTLMNAL3MBTL1ALDH1A1HPGD
SCHEMBL8071202 0.74 ALDH1A1 (0.53) MAPTLMNAL3MBTL1ALDH1A1HPGD
SCHEMBL8072890 0.74 ALDH1A1 (0.53) MAPTLMNAL3MBTL1ALDH1A1HPGD
SCHEMBL11044719 0.70 MEN1 (0.47) TAS1R3TAS1R1MAPTLMNAGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348614-B1 PROTECTING CROPS AGAINST PLANT DISEASES AGROGENE LTD. (IL) 2002-02-19 US claimed
US-6348614-B1 PROTECTING CROPS AGAINST PLANT DISEASES AGROGENE LTD. (IL) 2002-02-19 US disclosed