SCHEMBL9505660

SCHEMBL9505660

CCCCCCCCCCCC(=O)ON=C(C(=NO)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.49
CES1 P23141 3/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 6/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.44
CYP2C19 P33261 1/20 0.44
NAAA Q02083 1/20 0.41
RECQL P46063 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL31174298 0.83 CES2 (0.54) CES2CES1KMT2AMEN1TDP1
SCHEMBL11963958 0.76 KMT2A (0.58) CES2CES1KMT2AMEN1TDP1
SCHEMBL28085225 0.74 SOAT1 (0.52) KMT2AMEN1ALDH1A1GAA
SCHEMBL15537200 0.74 CES2 (0.57) CES2CES1TDP1L3MBTL1ALDH1A1
SCHEMBL8991173 0.74 CES2 (0.57) CES2CES1TDP1L3MBTL1ALDH1A1
SCHEMBL1830127 0.74 CES2 (0.57) CES2CES1TDP1L3MBTL1ALDH1A1
SCHEMBL15538378 0.74 CES2 (0.57) CES2CES1TDP1L3MBTL1ALDH1A1
SCHEMBL6024586 0.73 TSHR (0.53) CES2CES1TDP1ALDH1A1NAAA
SCHEMBL6024589 0.73 TSHR (0.53) CES2CES1TDP1ALDH1A1NAAA
Benzoic Acid SCHEMBL3529347 0.73 CES2 (0.55) CES2CES1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0332158-B1 RADIATION-SENSITIVE PHOTORESIST COMPOSITION FOR EXPOSURE TO DEEP ULTRAVIOLET RADIATION HOECHST CELANESE CORPORATION (US) 1993-05-26 EP claimed