SCHEMBL4644534

SCHEMBL4644534

O=C(CCO)Oc1cccc(O)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
POLB P06746 1/20 0.47
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
EGFR P00533 1/20 0.40
APP P05067 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL31188847 1.00 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBACHE
SCHEMBL689449 0.91 CYP3A4 (0.63) CYP3A4ESR1ESR2POLBACHE
SCHEMBL4645859 0.90 CYP3A4 (0.54) CYP3A4ESR1ESR2POLBKMT2A
SCHEMBL4642004 0.88 CYP3A4 (0.53) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL689823 0.87 CYP3A4 (0.59) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL809344 0.86 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL688275 0.86 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL689630 0.86 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL4642390 0.85 CYP3A4 (0.61) CYP3A4ESR1ESR2POLBACHE
SCHEMBL1827149 0.84 CYP3A4 (0.61) CYP3A4ESR1ESR2POLBACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5320097-A None JP disclosed
CN-100519671-C Film-forming polymer and antifouling paint JOTUN AS (NO) 2009-07-29 CN disclosed
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
CN-1643085-A Film-forming polymer and antifouling paint JOTUN AS (NO) 2005-07-20 CN 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
JP-H05320097-A SMOKING COMPOSITION CONTAINING VANILLIN-RELEASE BETA-HYDROXY ESTER ADDITIVE PHILIP MORRIS PROD INC 1993-12-03 JP disclosed