SCHEMBL9848006

SCHEMBL9848006

CC(=COOC(C)(C)c1ccc(C(C)C)cc1)C(=O)OOC(=O)OC(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL10497538 0.88 MAPK1 (0.38) CYP2D6MEN1KMT2A
SCHEMBL9862104 0.87 EPHX1 (0.31) CYP2D6CYP2C9HIF1A
SCHEMBL9847995 0.86 LMNA (0.37) CYP2D6CYP2C9HIF1AMEN1KMT2A
Propane SCHEMBL10714983 0.85 MAPK1 (0.36)
SCHEMBL9847930 0.82 CYP2D6 (0.35) CYP2D6CYP2C9HIF1AMEN1KMT2A
SCHEMBL3384629 0.78 TSHR (0.31)
SCHEMBL10497855 0.76
SCHEMBL9848002 0.74 CYP2D6 (0.35) CYP2D6CYP2C9HIF1AMEN1KMT2A
SCHEMBL3383738 0.73
SCHEMBL10497870 0.72

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-0422229-A1 ADHESIVE RESIN COMPOSITION, PREPARATION THEREOF, AND LAMINATE COMPRISING SAME NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-04-17 EP disclosed