SCHEMBL21947597

SCHEMBL21947597

C=CC(=O)OCCOc1ccc(CCc2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.79
FFAR1 O14842 4/20 0.55
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
S1PR1 P21453 2/20 0.47
S1PR3 Q99500 1/20 0.47
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47
PKM P14618 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
LTA4H P09960 1/20 0.46

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
SCHEMBL17036768 0.89 THRB (0.71) THRBFFAR1HCAR2AKR1B10AKR1B1
SCHEMBL34035 0.89 THRB (1.00) THRBMEN1KMT2APKM
SCHEMBL28230342 0.89 THRB (1.00) THRBMEN1KMT2APKM
Phenylethyl Alcohol SCHEMBL28842357 0.88 THRB (0.80) THRBFFAR1MEN1KMT2AHCAR2
SCHEMBL22451265 0.88 THRB (0.64) THRBFFAR1
SCHEMBL3440797 0.88 THRB (0.69) THRBFFAR1MEN1KMT2AS1PR1
Bromide SCHEMBL31049797 0.87 THRB (0.97) THRBMEN1KMT2APKM
SCHEMBL27842581 0.87 THRB (0.97) THRBMEN1KMT2APKM
SCHEMBL9489063 0.87 THRB (0.83) THRBMEN1KMT2APKM
SCHEMBL15941197 0.86 THRB (0.88) THRBMEN1KMT2APKMLTA4H

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-2949716-B1 COATING AGENT NIPPON SODA CO (JP) 2020-04-29 EP disclosed