SCHEMBL4793009

SCHEMBL4793009

CCC(=O)OCn1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TBXAS1 P24557 10/20 0.45
EGLN3 Q9H6Z9 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
WRN Q14191 1/20 0.44
HIF1A Q16665 1/20 0.44
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39

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
SCHEMBL10072238 0.83 TBXAS1 (0.59) ALDH1A1TBXAS1EGLN3
SCHEMBL7461666 0.81 ALDH1A1 (0.50) ALDH1A1TBXAS1EGLN3
SCHEMBL3690128 0.81 TBXAS1 (0.53) ALDH1A1TBXAS1ABL1RIN1
SCHEMBL28013740 0.81 ALDH1A1 (0.53) ALDH1A1TBXAS1EGLN3
Hydrochloric Acid SCHEMBL28304957 0.80 ALDH1A1 (0.48) ALDH1A1TBXAS1EGLN3
Bromide SCHEMBL6435569 0.80 ALDH1A1 (0.48) ALDH1A1TBXAS1EGLN3
SCHEMBL16314611 0.78 ALDH1A1 (0.50) ALDH1A1TBXAS1EGLN3
SCHEMBL9276891 0.77 ALDH1A1 (0.46) ALDH1A1TBXAS1EGLN3
SCHEMBL10643045 0.77 TBXAS1 (0.48) ALDH1A1TBXAS1EGLN3
SCHEMBL28414636 0.77 TBXAS1 (0.56) ALDH1A1TBXAS1EGLN3ABL1RIN1

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
EP-1981853-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES Pfizer Limited (GB) 2008-10-22 EP disclosed
WO-2007083207-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LIMITED (GB) 2007-07-26 WO disclosed