SCHEMBL9798169

SCHEMBL9798169

CCC(O)C(C)Cn1cncn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
HSP90AA1 P07900 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
FDPS P14324 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
SCHEMBL12900040 0.79 POLB (0.46) EGLN3POLBHPGDHSP90AA1FDPS
SCHEMBL30485094 0.79 EGLN3 (0.40) EGLN3POLBHPGDHSP90AA1KMT2A
SCHEMBL15756710 0.79 EGLN3 (0.40) EGLN3POLBHPGDHSP90AA1KMT2A
SCHEMBL13108577 0.79 POLB (0.46) EGLN3POLBHPGDHSP90AA1FDPS
SCHEMBL2021737 0.79 POLB (0.46) EGLN3POLBHPGDHSP90AA1FDPS
SCHEMBL1082326 0.79
SCHEMBL20516158 0.79
Hydrochloric Acid SCHEMBL4058189 0.78 POLB (0.44) EGLN3POLBHPGDHSP90AA1FDPS
SCHEMBL10192307 0.77 CYP19A1 (0.37) EGLN3KMT2AMEN1FDPS
SCHEMBL13894764 0.77 CYP19A1 (0.37) EGLN3KMT2AMEN1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297346-B1 USE OF 1-(4-CHLOROPHENYL)-4,4-DIMETHYL-3-(1,2,4-TRIAZOL-1-YL-METHYL)-PENTAN-3-OL IN CONTROLLING PSEUDOCERCOSPORELLA HERPOTRICHOIDES BAYER AG (DE) 1991-03-06 EP claimed
EP-0287346-A1 Fungicide compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-10-19 EP claimed
EP-0260794-A2 Substituted phenyl-2-propenoic acid derivatives and their use as fungicides ZENECA LIMITED (GB) 1988-03-23 EP disclosed
EP-0256667-A2 Substituted phenyl-2-propenoic acid derivatives useful in agriculture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-02-24 EP disclosed