SCHEMBL3420259

SCHEMBL3420259

C=C(CCC1COC(C)(C)O1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
CA2 P00918 2/20 0.40
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TBXA2R P21731 1/20 0.32
NAMPT P43490 3/20 0.31
TBXAS1 P24557 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL6674093 0.83 TMEM97 (0.43) TMEM97SIGMAR1CA2ALDH1A1NPSR1
SCHEMBL15970443 0.83 MEN1 (0.37)
SCHEMBL7157022 0.83 CA2 (0.44) TMEM97SIGMAR1CA2ALDH1A1NPSR1
SCHEMBL5316548 0.83 CA2 (0.44) TMEM97SIGMAR1CA2ALDH1A1NPSR1
SCHEMBL7154220 0.83 CA2 (0.44) TMEM97SIGMAR1CA2ALDH1A1NPSR1
SCHEMBL13496699 0.81 CA2 (0.41) TMEM97SIGMAR1CA2ALDH1A1NPSR1
SCHEMBL14417936 0.78 CA2 (0.42) TMEM97SIGMAR1CA2ALDH1A1NPSR1
Acetic Acid SCHEMBL4871178 0.78 ALDH1A1 (0.42) ALDH1A1
SCHEMBL8869148 0.77 TBXA2R (0.43) TMEM97SIGMAR1CA2ALDH1A1NPSR1
SCHEMBL8869137 0.77 TBXA2R (0.43) TMEM97SIGMAR1CA2ALDH1A1NPSR1

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-2144865-B1 METHOD FOR PRODUCING DIOLS COGNIS IP MAN GMBH (DE) 2016-07-13 EP disclosed
EP-2144865-A1 METHOD FOR PRODUCING DIOLS Cognis IP Management GmbH (DE) 2010-01-20 EP disclosed
WO-2008138497-A1 METHOD FOR PRODUCING DIOLS COGNIS IP MANAGEMENT GMBH (DE) 2008-11-20 WO disclosed
EP-1427763-A1 METHOD FOR THE PRODUCTION OF POLYMERS AND COPOLYMERS FROM ACRYLIC COMPOUNDS Röhm GmbH & Co. KG (DE) 2004-06-16 EP disclosed
WO-2003048176-A1 CATALYST FOR PRODUCING (CO)POLYMERS OF (METH)ACRYLIC COMPOUNDS Röhm GmbH & Co. KG (DE) 2003-06-12 WO disclosed
WO-2003022897-A1 METHOD FOR THE PRODUCTION OF POLYMERS AND COPOLYMERS FROM ACRYLIC COMPOUNDS Röhm GmbH & Co. KG (DE) 2003-03-20 WO disclosed
EP-0562330-B1 Articles made from fire-resistant polymers with compatible (meth-)acrylate-coatings ROEHM GMBH (DE) 1997-08-20 EP disclosed
EP-0344601-B1 Compatible polymer mixtures ROEHM GMBH (DE) 1995-12-06 EP disclosed
EP-0562330-A1 Articles made from fire-resistant polymers with compatible (meth-)acrylate-coatings RÖHM GMBH (DE) 1993-09-29 EP disclosed
EP-0344601-A2 Compatible polymer mixtures Röhm GmbH (DE) 1989-12-06 EP disclosed