SCHEMBL6662471

SCHEMBL6662471

O=C(O)COCC(=O)Oc1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
FFAR1 O14842 1/20 0.46
ESR1 P03372 3/20 0.44
ESR2 Q92731 2/20 0.44
POLB P06746 1/20 0.44
VCAM1 P19320 1/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL10075111 0.83 ALOX15 (0.55) FFAR1ALOX15LMNAGAA
Resorcinol SCHEMBL6662478 0.82 CA12 (0.52) CYP3A4FFAR1ESR1ALOX15LMNA
SCHEMBL15875785 0.80 CYP3A4 (0.56) CYP3A4FFAR1ESR1ESR2POLB
SCHEMBL689199 0.79 CYP3A4 (0.63) CYP3A4ESR1ESR2POLBLMNA
SCHEMBL689449 0.79 CYP3A4 (0.63) CYP3A4ESR1ESR2POLBLMNA
SCHEMBL4642390 0.78 CYP3A4 (0.61) CYP3A4ESR1ESR2POLBLMNA
SCHEMBL3103775 0.78 LMNA (0.66) CYP3A4FFAR1ESR1ALOX15LMNA
SCHEMBL2845775 0.77 CYP3A4 (0.53) CYP3A4ESR1ESR2POLBVCAM1
SCHEMBL27705782 0.77 CYP3A4 (0.53) CYP3A4ESR1ESR2POLBVCAM1
SCHEMBL11437247 0.77 CYP19A1 (0.52) ALOX15LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144494-B1 A HIGH BARRIER AMORPHOUS POLYAMIDE-CLAY NANOCOMPOSITE AND A PROCESS FOR PREPARING SAME UNIV SOUTH CAROLINA RES FOUND (US) 2004-07-14 EP disclosed
US-6552114-B2 Blend of polyamide and clay; ion exchanging UNIVERSITY OF SOUTH CAROLINA RESEARCH FOUNDATION 2003-04-22 US disclosed
US-6548587-B1 Nanocomposites, bottles; poly-m-xylylene adipamide and quaternized montmorillonite clay UNIVERSITY OF SOUTH CAROLINA RESEARCH FOUNDATION 2003-04-15 US disclosed
US-20030013796-A1 Process for preparing a high barrier amorphous polyamide-clay nanocomposite EASTMAN CHEMICAL COMPANY 2003-01-16 US disclosed
US-6417262-B1 POLYAMIDE-CLAY NANOCOMPOSITES EASTMAN CHEMICAL COMPANY 2002-07-09 US disclosed
EP-1200515-A1 A POLYAMIDE COMPOSITION COMPRISING A LAYERED CLAY MATERIAL MODIFIED WITH AN ALKOXYLATED ONIUM COMPOUND EASTMAN CHEMICAL COMPANY (US) 2002-05-02 EP disclosed
US-6376591-B1 MULTILAYER AMCOL INTERNATIONAL CORPORATION 2002-04-23 US disclosed
EP-1144494-A1 A HIGH BARRIER AMORPHOUS POLYAMIDE-CLAY NANOCOMPOSITE AND A PROCESS FOR PREPARING SAME EASTMAN CHEMICAL COMPANY (US) 2001-10-17 EP disclosed
WO-2001004197-A1 A POLYAMIDE COMPOSITION COMPRISING A LAYERED CLAY MATERIAL MODIFIED WITH AN ALKOXYLATED ONIUM COMPOUND EASTMAN CHEMICAL COMPANY (US) 2001-01-18 WO disclosed
WO-2000034372-A1 A HIGH BARRIER AMORPHOUS POLYAMIDE-CLAY NANOCOMPOSITE AND A PROCESS FOR PREPARING SAME EASTMAN CHEMICAL COMPANY (US) 2000-06-15 WO disclosed