SCHEMBL28519652

SCHEMBL28519652

c1ccc(COc2cccc3c2Cc2ccccc2O3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
RXRB P28702 5/20 0.43
RXRA P19793 4/20 0.43
RXRG P48443 3/20 0.43
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
HTT P42858 1/20 0.40
LIPE Q05469 1/20 0.40
CARM1 Q86X55 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
DCPS Q96C86 1/20 0.39
LTA4H P09960 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL171010 0.82 MAOA (0.48) MAPTTDP1L3MBTL1MAOBMAOA
Ammonia Solution, Strong SCHEMBL27980687 0.81 MAPT (0.55) MAPTMAPK1TDP1L3MBTL1MAOB
SCHEMBL5344044 0.79 MAOA (0.57) MAOBMAOADRD2
Acetic Acid SCHEMBL1176753 0.78 L3MBTL1 (0.43) MAPTTDP1L3MBTL1MAOBMAOA
SCHEMBL9274021 0.77 MAOA (0.50) MAOBMAOAHTR1ACARM1HTR2C
SCHEMBL20886911 0.77 L3MBTL1 (0.50) MAPTMAPK1TDP1L3MBTL1RXRB
SCHEMBL5754978 0.76 MAOA (0.53) MAOBMAOADRD2
SCHEMBL29934406 0.76 MAOA (0.53) MAOBMAOADRD2
SCHEMBL9955011 0.75 CYP1A2 (0.49) MAPK1MAOBMAOAHTTMAPK14
Benzoic Acid SCHEMBL1723033 0.75 MRGPRX4 (0.47) MAPTTDP1L3MBTL1MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108918493-B pH fluorescent dye, pH fluorescent probe, preparation method and application 中国科学院深圳先进技术研究院 2021-01-19 CN claimed
CN-108918493-B pH fluorescent dye, pH fluorescent probe, preparation method and application 中国科学院深圳先进技术研究院 2021-01-19 CN disclosed