SCHEMBL1133539

SCHEMBL1133539

CCCCNCCC=C(C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.39
ALOX15 P16050 1/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH7 P40394 1/20 0.36
FAAH O00519 3/20 0.35
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SOAT1 P35610 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
S1PR2 O95136 4/20 0.33

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
SCHEMBL9117694 0.93 PAOX (0.39) PAOXALOX15TSHRALDH1A1ADH1B
SCHEMBL9113649 0.89 PAOX (0.41) PAOXADH1BADH1AADH7FAAH
SCHEMBL1846398 0.86 ALDH1A1 (0.43) PAOXTSHRALDH1A1ADH1BADH1C
SCHEMBL246136 0.84 ALOX15 (0.42) PAOXALOX15TSHRALDH1A1ADH1B
SCHEMBL3686309 0.84 ALOX15 (0.42) PAOXALOX15TSHRALDH1A1ADH1B
SCHEMBL4860864 0.83 CYP2C19 (0.31) TSHRMEN1CYP1A2CYP2C19KMT2A
SCHEMBL180918 0.81 EP300 (0.42) TSHRALDH1A1FAAHMEN1TP53
SCHEMBL21803848 0.81 EP300 (0.42) TSHRALDH1A1FAAHMEN1TP53
SCHEMBL180917 0.81 EP300 (0.42) TSHRALDH1A1FAAHMEN1TP53
SCHEMBL4860595 0.80 CYP2C19 (0.38) PAOXTSHRMEN1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285874-A1 CARBON NANOTUBES AND ORGANIC MEDIA CONTAINING MICROGELS Rhein Chemie Rheinau GmbH (DE) 2011-02-23 EP disclosed
WO-2009141391-A1 CARBON NANOTUBES AND ORGANIC MEDIA CONTAINING MICROGELS RHEIN CHEMIE RHEINAU GMBH (DE) 2009-11-26 WO disclosed
EP-1670851-A1 THERMOPLASTIC ELASTOMER COMPOSITION CONTAINING MICROGELS Rhein Chemie Rheinau GmbH (DE) 2006-06-21 EP disclosed
EP-1664158-A1 MICROGELS IN CROSS-LINKABLE, ORGANIC MEDIA Rhein Chemie Rheinau GmbH (DE) 2006-06-07 EP disclosed
EP-1664157-A1 MICROGELS IN NON-CROSSLINKABLE ORGANIC MEDIA Rhein Chemie Rheinau GmbH (DE) 2006-06-07 EP disclosed
WO-2005033186-A9 MICROGELS IN CROSS-LINKABLE, ORGANIC MEDIA RHEIN CHEMIE RHEINAU GMBH (DE) 2005-06-09 WO disclosed
WO-2005033186-A1 MICROGELS IN CROSS-LINKABLE, ORGANIC MEDIA RHEIN CHEMIE RHEINAU GMBH (DE) 2005-04-14 WO disclosed
WO-2005033185-A1 THERMOPLASTIC ELASTOMER COMPOSITION CONTAINING MICROGELS RHEIN CHEMIE RHEINAU GMBH (DE) 2005-04-14 WO disclosed
WO-2005030843-A1 MICROGELS IN NON-CROSSLINKABLE ORGANIC MEDIA RHEIN CHEMIE RHEINAU GMBH (DE) 2005-04-07 WO disclosed