SCHEMBL6424362

SCHEMBL6424362

C=CC(=O)OC(CC#N)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
CYP2C19 P33261 1/20 0.38
PBRM1 Q86U86 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 1/20 0.34
NOS2 P35228 2/20 0.33
CTSL P07711 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
AKT1 P31749 1/20 0.33
TSHR P16473 1/20 0.33
GSR P00390 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 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
SCHEMBL1371364 0.83 THRB (0.41) THRBCYP2C19HCAR2PABPC1APOBEC3A
SCHEMBL292595 0.82 PBRM1 (0.41) PBRM1CTSSCTSKNOS2CTSL
SCHEMBL292594 0.82 PBRM1 (0.41) PBRM1CTSSCTSKNOS2CTSL
SCHEMBL17844649 0.81 THRB (0.41) THRBCYP2C19HCAR2PABPC1APOBEC3A
SCHEMBL2461302 0.81 GSR (0.47) THRBCYP2C19HCAR2PPARGPPARA
SCHEMBL28948579 0.81 CYP2C19 (0.54) THRBCYP2C19HCAR2PPARGPPARA
Acetic Acid SCHEMBL28013205 0.80 THRB (0.40) THRBCYP2C19HCAR2PABPC1APOBEC3A
SCHEMBL2208580 0.80 PABPC1 (0.50) PBRM1CTSSCTSKCTSLTSHR
SCHEMBL1006563 0.80 GABBR2 (0.42) THRBCYP2C19HCAR2PPARGPPARA
SCHEMBL7552631 0.80 PABPC1 (0.50) PBRM1CTSSCTSKCTSLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1579521-A1 CURABLE COMPOSITION, CURED PRODUCT THEREOF, MOLDED PRODUCT THEREOF AND USE AS FUEL CELL SEPARATOR Showa Denko K.K. (JP) 2005-09-28 EP disclosed
WO-2004059766-A1 CURABLE COMPOSITION, CURED PRODUCT THEREOF, MOLDED PRODUCT THEREOF AND USE AS FUEL CELL SEPARATOR SHOWA DENKO K. K. (JP) 2004-07-15 WO disclosed