SCHEMBL4354447

SCHEMBL4354447

C=C(C)C(=O)OCCc1ccccc1.C=CC(=O)OCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
HCAR2 Q8TDS4 1/20 0.54
AKR1B10 O60218 5/20 0.51
AKR1B1 P15121 5/20 0.51
MAOB P27338 1/20 0.47
ALOX5 P09917 5/20 0.44
TTR P02766 4/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 2/20 0.44
ALOX12 P18054 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
GMNN O75496 1/20 0.44
ALDH1A1 P00352 1/20 0.44
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.44
ERBB2 P04626 1/20 0.44

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
SCHEMBL10426103 0.92 THRB (0.68) THRBHCAR2AKR1B10AKR1B1MAOB
SCHEMBL31404677 0.92 THRB (0.68) THRBHCAR2AKR1B10AKR1B1MAOB
Methacrylic Acid SCHEMBL7262507 0.91 THRB (0.56) THRBHCAR2AKR1B10AKR1B1MAOB
Acrylic Acid SCHEMBL3925457 0.91 HCAR2 (0.53) THRBHCAR2AKR1B10AKR1B1MAOB
Methacrylic Acid SCHEMBL9128151 0.90 TSHR (0.51) THRBHCAR2AKR1B10AKR1B1MAOB
SCHEMBL42893 0.89 HCAR2 (0.51) THRBHCAR2AKR1B10AKR1B1MAOB
SCHEMBL28121252 0.88 THRB (0.48) THRBHCAR2AKR1B10AKR1B1MAOB
Methane SCHEMBL4468486 0.88 HCAR2 (0.50) THRBHCAR2AKR1B10AKR1B1MAOB
SCHEMBL40718 0.88 THRB (0.67) THRBHCAR2AKR1B10AKR1B1MAOB
Methacrylic Acid SCHEMBL8131805 0.86 HCAR2 (0.49) THRBHCAR2AKR1B10AKR1B1MAOB

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
US-20090160075-A1 METHODS FOR FABRICATING CUSTOMIZED INTRAOCULAR LENSES ALCON, INC, (CH) 2009-06-25 US disclosed