SCHEMBL5245362

SCHEMBL5245362

O=C(O)c1ccc(C(=O)O)c(CC(O)O)c1CC(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 7/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 3/20 0.38
SELL P14151 1/20 0.38
SELP P16109 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
TSHR P16473 2/20 0.37
CA14 Q9ULX7 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 3/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL10707671 0.86 ALDH1A1 (0.48) CYP1A2ALDH1A1ALOX15MAPTHDAC8
SCHEMBL6902769 0.82 CYP1A2 (0.42) CYP1A2ALDH1A1ALOX15MAPTSELL
SCHEMBL1950367 0.79 CYP1A2 (0.44) CYP1A2ALDH1A1ALOX15TSHRCYP2C9
SCHEMBL10779747 0.79 CYP1A2 (0.39) CYP1A2ALDH1A1ALOX15MAPTSELL
SCHEMBL11171200 0.79 CYP1A2 (0.39) CYP1A2ALDH1A1ALOX15MAPTSELL
SCHEMBL6575369 0.74 ACE2 (0.41) CYP1A2ALDH1A1ALOX15MAPTSELL
SCHEMBL6451346 0.74 MAPT (0.42) CYP1A2ALDH1A1ALOX15MAPTCA12
SCHEMBL11158834 0.74 CYP1A2 (0.39) CYP1A2ALDH1A1ALOX15MAPTSELL
SCHEMBL94558 0.74 CYP1A2 (0.39) CYP1A2ALDH1A1ALOX15MAPTSELL
SCHEMBL125462 0.73 KDM4E (0.46) CYP1A2ALDH1A1MAPTCA12CA1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1277773-B1 Thermoplastic polyurethanes BASF AG (DE) 2007-09-12 EP disclosed
EP-1628827-A1 MIXTURES CONTAINING THERMOPLASTIC POLYURETHANE AND ACRYLONITRILE-STYRENE-ACRYLIC ESTER COPOLYMER (ASA) BASF Aktiengesellschaft (DE) 2006-03-01 EP disclosed
EP-1164162-B1 Thermoplastic elastomer mixture with an improved processability in extrusion WOLFF WALSRODE AG (DE) 2005-06-15 EP disclosed
EP-0959104-B1 Blends containing thermoplastic polyurethane BASF AG (DE) 2005-02-02 EP disclosed
WO-2004098878-A1 MIXTURES CONTAINING THERMOPLASTIC POLYURETHANE AND ACRYLONITRILE-STYRENE-ACRYLIC ESTER COPOLYMER (ASA) BASF AKTIENGESELLSCHAFT (DE) 2004-11-18 WO disclosed
EP-0922719-B1 Preparation process for polyisocyanate-polyaddition products BASF AG (DE) 2004-08-11 EP disclosed
EP-0844274-B1 Thermoplastic polyurethanes and process for their preparation BASF AG (DE) 2004-03-10 EP disclosed
EP-1013416-B1 Composite material comprising (i) thermoplastic polyurethanes and (ii) microcellular polyurethane elastomers BASF AG (DE) 2003-06-04 EP disclosed
EP-1204688-B1 THERMOPLASTIC POLYURETHANES BASF AG (DE) 2003-05-02 EP disclosed
EP-1078944-B1 Process for manufacturing thermoplastic polyurethane fibres BASF AG (DE) 2003-04-09 EP disclosed
EP-0922719-A1 Preparation process for polyisocyanate-polyaddition products BASF AKTIENGESELLSCHAFT (DE) 1999-06-16 EP disclosed
EP-0921160-A1 Transparent mixtures containing thermoplastic polyisocyanate polyaddition products, polyvinyl chloride and stabilizers BASF AKTIENGESELLSCHAFT (DE) 1999-06-09 EP disclosed
EP-0907675-A1 PROTECTIVE FILM FOR TIMBER BASF Coatings AG (DE) 1999-04-14 EP disclosed
EP-0881244-A2 Process for the preparation of thermoplastic polyurethanes BASF AKTIENGESELLSCHAFT (DE) 1998-12-02 EP disclosed
EP-0847331-A1 LAMINATE BASF Coatings Aktiengesellschaft (DE) 1998-06-17 EP disclosed
EP-0844274-A1 Thermoplastic polyurethanes and process for their preparation BASF AKTIENGESELLSCHAFT (DE) 1998-05-27 EP disclosed
EP-0823932-A1 LAMINATE BASF Lacke und Farben AG (DE) 1998-02-18 EP disclosed
WO-1998000458-A1 PROTECTIVE FILM FOR TIMBER BASF COATINGS AG (DE) 1998-01-08 WO disclosed
WO-1997007974-A1 LAMINATE BASF LACKE UND FARBEN AKTIENGESELLSCHAFT (DE) 1997-03-06 WO disclosed
WO-1996034925-A1 LAMINATE BASF LACKE UND FARBEN AKTIENGESELLSCHAFT (DE) 1996-11-07 WO disclosed