SCHEMBL7601079

SCHEMBL7601079

CC(C(=O)OCCO)n1ccnn1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP19A1 P11511 1/20 0.31

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
SCHEMBL10360818 0.80 CYP19A1 (0.34) ALDH1A1CYP19A1
SCHEMBL9768670 0.73 CYP19A1 (0.37) CYP19A1
SCHEMBL12503737 0.73 CYP19A1 (0.37) CYP19A1
SCHEMBL13283579 0.68 CYP19A1 (0.36) CYP19A1
SCHEMBL5793135 0.68 PTGS2 (0.35) ALDH1A1CYP19A1
SCHEMBL4055577 0.67
SCHEMBL19821311 0.67 FOLH1 (0.36) ALDH1A1CYP19A1
SCHEMBL9351173 0.66 TSHR (0.34) ALDH1A1
SCHEMBL5707887 0.65 FOLH1 (0.34) CYP19A1
SCHEMBL7259820 0.65 CYP19A1 (0.33) ALDH1A1CYP19A1

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
EP-0956153-B1 DISPERSING AGENT EFKA ADDITIVES B V (NL) 2002-10-02 EP disclosed