SCHEMBL9861898

SCHEMBL9861898

C=C(C)C(=O)OC(C)OC(=O)OOOC(C)(C)c1ccc(C(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL10497470 0.95 CYP2D6 (0.33) CYP2D6CYP2C9HIF1A
SCHEMBL10497492 0.86 THRB (0.31) CYP2D6CYP2C9HIF1A
SCHEMBL10349876 0.83 CYP2D6 (0.35) CYP2D6CYP2C9HIF1A
SCHEMBL9861904 0.82 THRB (0.35) CYP2D6CYP2C9HIF1A
SCHEMBL10349869 0.78 TSHR (0.33)
SCHEMBL3385470 0.77 CYP2D6 (0.35) CYP2D6CYP2C9HIF1A
SCHEMBL10349937 0.75 TSHR (0.32)
SCHEMBL3384672 0.74 CYP2D6 (0.33) CYP2D6CYP2C9HIF1A
SCHEMBL3384477 0.73 CYP2D6 (0.36) CYP2D6CYP2C9HIF1A
SCHEMBL10349661 0.72 TSHR (0.32)

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-0423767-A2 Thermoplastic resin composition and method for preparing the same NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-04-24 EP disclosed