SCHEMBL20146602

SCHEMBL20146602

C=CC(=O)OCCc1ccc(Cc2cccc(Oc3ccccc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.53
FFAR1 O14842 8/20 0.47
FFAR4 Q5NUL3 2/20 0.47
HCAR2 Q8TDS4 1/20 0.47
GNA15 P30679 1/20 0.46
PTGER3 P43115 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AKR1B10 O60218 2/20 0.45
AKR1B1 P15121 2/20 0.45
SRD5A2 P31213 1/20 0.45
P2RX3 P56373 1/20 0.42
APP P05067 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL22129584 0.91 THRB (0.60) THRBFFAR1FFAR4HCAR2AKR1B10
SCHEMBL16768511 0.90 THRB (0.58) THRBFFAR1FFAR4HCAR2GNA15
SCHEMBL16768513 0.90 THRB (0.58) THRBFFAR1FFAR4HCAR2GNA15
SCHEMBL16768510 0.90 THRB (0.58) THRBFFAR1FFAR4HCAR2GNA15
SCHEMBL22129615 0.87 THRB (0.65) THRBFFAR1FFAR4HCAR2AKR1B10
SCHEMBL16755603 0.87 THRB (0.65) THRBFFAR1FFAR4HCAR2AKR1B10
SCHEMBL149640 0.87 THRB (0.59) THRBHCAR2TDP1AKR1B10AKR1B1
SCHEMBL25247933 0.82 THRB (0.56) THRBFFAR1AKR1B10AKR1B1
SCHEMBL17914469 0.81 TSHR (0.53) THRBHCAR2AKR1B10AKR1B1APP
SCHEMBL40718 0.81 THRB (0.67) THRBHCAR2TDP1AKR1B10AKR1B1

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-3077016-B1 SOFT ACRYLIC MATERIALS WITH HIGH REFRACTIVE INDEX AND MINIMIZED GLISTENING NOVARTIS AG (CH) 2018-05-16 EP disclosed