SCHEMBL4644822

SCHEMBL4644822

[CH2]CCCC(=O)Oc1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

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
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 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
SCHEMBL4643939 0.92 CYP3A4 (0.56) CYP3A4ESR1ESR2POLBCNR1
SCHEMBL689823 0.91 CYP3A4 (0.59) CYP3A4ESR1ESR2POLBPRSS1
SCHEMBL689630 0.90 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBPRSS1
SCHEMBL688275 0.90 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBPRSS1
SCHEMBL809344 0.90 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBPRSS1
SCHEMBL689449 0.88 CYP3A4 (0.63) CYP3A4ESR1ESR2POLBCNR1
SCHEMBL4645859 0.87 CYP3A4 (0.54) CYP3A4ESR1ESR2POLBPRSS1
SCHEMBL2845775 0.85 CYP3A4 (0.53) CYP3A4ESR1ESR2POLBPRSS1
SCHEMBL27705782 0.85 CYP3A4 (0.53) CYP3A4ESR1ESR2POLBPRSS1
SCHEMBL4079668 0.85 CYP3A4 (0.57) CYP3A4ESR1ESR2POLBKMT2A

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