SCHEMBL4644818

SCHEMBL4644818

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.57
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
POLB P06746 1/20 0.44
BCHE P06276 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
ACHE P22303 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38
APP P05067 1/20 0.37

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
SCHEMBL4643933 0.87 CYP3A4 (0.61) CYP3A4ESR1ESR2POLBBCHE
SCHEMBL4643737 0.83 MEN1 (0.44) CYP3A4ESR1MEN1KMT2A
SCHEMBL4643919 0.81 NPC1 (0.49) POLBMEN1KMT2A
SCHEMBL6247098 0.81 ZDHHC2 (0.48) MEN1KMT2A
SCHEMBL4645333 0.80 THRB (0.45) ESR1BCHEMEN1KMT2ALMNA
SCHEMBL4647740 0.78 CYP3A4 (0.67) CYP3A4ESR1ESR2POLBBCHE
SCHEMBL689425 0.77 CYP3A4 (0.66) CYP3A4ESR1ESR2POLBBCHE
SCHEMBL689426 0.77 CYP3A4 (0.66) CYP3A4ESR1ESR2POLBBCHE
SCHEMBL689595 0.77 CYP3A4 (0.66) CYP3A4ESR1ESR2POLBBCHE
SCHEMBL1827149 0.77 CYP3A4 (0.61) 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