SCHEMBL1357005

SCHEMBL1357005

CC(C)OC([O])c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 3/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CYP2D6 P10635 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL5159508 0.84 HCAR2 (0.43) KMT2ATAAR1CES2CES1CYP2D6
SCHEMBL7091939 0.76 CES2 (0.38) ALDH1A1L3MBTL1KMT2ACES2CES1
SCHEMBL17367389 0.75 HCAR2 (0.42) ALDH1A1TAAR1CYP2D6ADRA2AADRA2C
SCHEMBL12227917 0.75 SCN1A (0.42) TAAR1CYP2D6ADRA2AADRA2CLMNA
SCHEMBL104838 0.75 HCAR2 (0.42) ALDH1A1TAAR1CYP2D6ADRA2AADRA2C
SCHEMBL83160 0.75 KMT2A (0.46) ALDH1A1KMT2ACES2CES1CYP2D6
SCHEMBL13554105 0.75 HCAR2 (0.42) ALDH1A1TAAR1CYP2D6ADRA2AADRA2C
SCHEMBL3102669 0.75 TAAR1 (0.41) ALDH1A1TAAR1CYP2D6ADRA2AADRA2C
SCHEMBL10690940 0.74 IDO1 (0.46) ALDH1A1KMT2ACYP2D6ADRA2AHCAR2
SCHEMBL6272307 0.73 HCAR2 (0.46) KMT2ATAAR1CES2CES1CYP2D6

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
US-20110281040-A1 LIQUID CRYSTAL DISPLAY ELEMENT, POSITIVE TYPE RADIATION SENSITIVE COMPOSITION, INTERLAYER INSULATING FILM FOR LIQUID CRYSTAL DISPLAY ELEMENT, AND FORMATION METHOD THEREOF JSR CORPORATION (JP) 2011-11-17 US disclosed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed
EP-0793144-B1 Radiation sensitive composition JAPAN SYNTHETIC RUBBER CO LTD (JP) 2001-01-17 EP disclosed
US-5962180-A COMPRISING (A) A COPOLYMER COMPRISING RECURRING UNITS OF A P-HYDROXYSTYRENE UNIT AND A STYRENE UNIT HAVING AN ACETAL GROUP OR A KETAL GROUP AT THE P-POSITION, (B) A COPOLYMER COMPRISING RECURRING UNITS OF A T-BUTYL (METH)ACRYLATE UNIT JSR CORPORATION (JP) 1999-10-05 US disclosed
EP-0793144-A2 Radiation sensitive composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1997-09-03 EP disclosed