SCHEMBL5510657

SCHEMBL5510657

O=C(O)C(OC1CCCCC1)(C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.38
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 2/20 0.33
NAAA Q02083 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
FABP7 O15540 1/20 0.32
FABP5 Q01469 1/20 0.32
CYP19A1 P11511 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL24361109 0.77 EPHX1 (0.35) EPHX1CES2CES1CA1CA2
SCHEMBL24361089 0.77 EPHX1 (0.35) EPHX1CES2CES1CA1CA2
SCHEMBL24361088 0.74 EPHX1 (0.32) EPHX1
SCHEMBL6253845 0.74 L3MBTL1 (0.36) EPHX1CYP2C19SMN1; SMN2HTTNAAA
SCHEMBL9432690 0.73 KEAP1 (0.31) EPHX1
SCHEMBL23922566 0.70 THRB (0.41) EPHX1THRB
SCHEMBL6250642 0.70 EPHX1 (0.33) EPHX1CES2CES1CYP2C19FABP7
Bicarbonate SCHEMBL366336 0.69 EPHX1 (0.43) EPHX1CES2CES1CA1CA2
Bicarbonate SCHEMBL6566447 0.69 EPHX1 (0.43) EPHX1CES2CES1CA1CA2
Bicarbonate SCHEMBL28775658 0.69 EPHX1 (0.43) EPHX1CES2CES1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470258-B1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2013-08-28 EP disclosed
US-7250456-B2 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2007-07-31 US disclosed
US-20050148702-A1 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2005-07-07 US disclosed
EP-1470258-A1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL Ledertechnik GmbH (DE) 2004-10-27 EP disclosed
WO-2003064707-A1 COMPOSITIONS AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2003-08-07 WO disclosed