SCHEMBL4647740

SCHEMBL4647740

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.67
ESR1 P03372 2/20 0.54
ESR2 Q92731 2/20 0.54
POLB P06746 1/20 0.50
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.43
BCHE P06276 2/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CA5A P35218 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 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
SCHEMBL689595 0.84 CYP3A4 (0.66) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL689425 0.84 CYP3A4 (0.66) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL689426 0.84 CYP3A4 (0.66) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL27568684 0.82 CYP3A4 (0.63) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL220089 0.81 CYP3A4 (0.61) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL29861297 0.81 CYP3A4 (0.61) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL4643933 0.80 CYP3A4 (0.61) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL29331106 0.80 CYP3A4 (0.61) CYP3A4ESR1ESR2POLBMEN1
Resorcinol Monoacetate SCHEMBL27801 0.80 CYP3A4 (1.00) CYP3A4ESR1ESR2POLBMEN1
Resorcinol Monoacetate SCHEMBL31276188 0.80 CYP3A4 (1.00) CYP3A4ESR1ESR2POLBMEN1

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