SCHEMBL4644019

SCHEMBL4644019

O=C(CCl)Oc1cccc(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.59
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
POLB P06746 1/20 0.49
ACHE P22303 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.42
APP P05067 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
EGFR P00533 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD3 P35462 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
SCHEMBL4644540 0.86 CYP3A4 (0.56) CYP3A4ESR1ESR2POLBACHE
SCHEMBL689199 0.85 CYP3A4 (0.63) CYP3A4ESR1ESR2POLBACHE
SCHEMBL689449 0.85 CYP3A4 (0.63) CYP3A4ESR1ESR2POLBACHE
SCHEMBL11251384 0.83 MEN1 (0.44) ACHEMEN1KMT2ALMNA
SCHEMBL4642390 0.83 CYP3A4 (0.61) CYP3A4ESR1ESR2POLBACHE
SCHEMBL4641854 0.83 CYP3A4 (0.53) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL4644097 0.82 CYP3A4 (0.51) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL6691263 0.81 BCHE (0.47) ACHEMEN1KMT2A
SCHEMBL689823 0.81 CYP3A4 (0.59) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL3905574 0.81 CYP3A4 (0.65) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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