SCHEMBL6677692

SCHEMBL6677692

CCC/C(O)=C(\Oc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ELANE P08246 1/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.39
ALOX5 P09917 1/20 0.39
FAAH O00519 6/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL16893820 0.84 CES2 (0.41) TP53CES2CES1ELANEMAPT
SCHEMBL27952555 0.77 ELANE (0.41) TP53CES2CES1ELANEMAPT
SCHEMBL20769806 0.77 BCL9 (0.59) CES2CES1ELANEMAPTMEN1
SCHEMBL62921 0.77 BCL9 (0.59) CES2CES1ELANEMAPTMEN1
SCHEMBL11449884 0.76 ELANE (0.45) ELANEMAPTHPGDL3MBTL1SMN1; SMN2
SCHEMBL16893834 0.76 ELANE (0.45) ELANEMAPTHPGDL3MBTL1SMN1; SMN2
SCHEMBL25435500 0.76 GAA (0.38) CES2CES1ELANEMAPTSMN1; SMN2
Iodide SCHEMBL11482340 0.76 BCL9 (0.57) CES2CES1ELANEMAPTMEN1
SCHEMBL19888719 0.76 BCL9 (0.57) CES2CES1ELANEMAPTMEN1
Ammonia Solution, Strong SCHEMBL20958243 0.76 BCL9 (0.57) CES2CES1ELANEMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0847050-B1 Optical recording medium MITSUBISHI CHEM CORP (JP) 2004-11-17 EP claimed
EP-0652555-B1 Optical recording medium MITSUI CHEMICALS INC (JP) 2000-07-12 EP disclosed
US-5573831-A ULTRAVIOLET RADIATION CURABLE INK MITSUI TOATSU CHEMICALS, INC. (JP) 1996-11-12 US disclosed
EP-0652555-A2 Optical recording medium MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-05-10 EP disclosed