SCHEMBL4643933

SCHEMBL4643933

CC[CH]C(=O)Oc1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.61
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
POLB P06746 1/20 0.46
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
EGFR P00533 1/20 0.39
APP P05067 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38

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
SCHEMBL4644818 0.87 CYP3A4 (0.57) CYP3A4ESR1ESR2POLBCHRNB2
SCHEMBL4645779 0.82 MEN1 (0.46) CYP3A4BCHEACHEMEN1KMT2A
SCHEMBL4647740 0.80 CYP3A4 (0.67) CYP3A4ESR1ESR2POLBCHRNB2
SCHEMBL4644228 0.80 NPC1 (0.51) POLBMEN1KMT2A
SCHEMBL689426 0.80 CYP3A4 (0.66) CYP3A4ESR1ESR2POLBBCHE
SCHEMBL5612980 0.80 ZDHHC2 (0.46) KMT2A
SCHEMBL689595 0.80 CYP3A4 (0.66) CYP3A4ESR1ESR2POLBBCHE
SCHEMBL689425 0.80 CYP3A4 (0.66) CYP3A4ESR1ESR2POLBBCHE
SCHEMBL3905574 0.79 CYP3A4 (0.65) CYP3A4ESR1ESR2POLBCHRNB2
SCHEMBL29995062 0.79 CYP3A4 (0.65) CYP3A4ESR1ESR2POLBCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed