SCHEMBL4645859

SCHEMBL4645859

O=C(CCCO)Oc1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
POLB P06746 1/20 0.45
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
VCAM1 P19320 1/20 0.41
KMT2A Q03164 2/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4642004 0.95 CYP3A4 (0.53) CYP3A4ESR1ESR2POLBCNR1
SCHEMBL689823 0.91 CYP3A4 (0.59) CYP3A4ESR1ESR2POLBCNR1
SCHEMBL4644534 0.90 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBCNR1
SCHEMBL31188847 0.90 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBCNR1
SCHEMBL688275 0.90 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBCNR1
SCHEMBL809344 0.90 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBCNR1
SCHEMBL689630 0.90 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBCNR1
SCHEMBL689449 0.88 CYP3A4 (0.63) CYP3A4ESR1ESR2POLBCNR1
SCHEMBL4644822 0.87 CYP3A4 (0.54) CYP3A4ESR1ESR2POLBCNR1
SCHEMBL2845775 0.85 CYP3A4 (0.53) CYP3A4ESR1ESR2POLBCNR1

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