SCHEMBL27759840

SCHEMBL27759840

O=C1C=Cc2cccc(OCc3ccccc3)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
TOP1 P11387 1/20 0.45
ALPG P10696 1/20 0.44
PTK2B Q14289 1/20 0.44
HTR1A P08908 2/20 0.44
DRD2 P14416 1/20 0.44
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
LIPE Q05469 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
LTA4H P09960 1/20 0.41

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
SCHEMBL25834309 0.84 TOP1 (0.56) MAPTMAPK1TDP1L3MBTL1MAOB
SCHEMBL8216313 0.78 MAPT (0.69) MAPTMAPK1TDP1L3MBTL1MAOB
SCHEMBL16072720 0.75 KCNA3 (0.58) MAPTMAPK1TDP1L3MBTL1MAOB
SCHEMBL9173435 0.73 KCNA3 (0.56) MAPTMAPK1TDP1L3MBTL1MAOB
SCHEMBL6215213 0.73 MAPT (0.67) MAPTMAPK1TDP1L3MBTL1MAOB
SCHEMBL6216372 0.73 MAOB (0.63) MAPTMAPK1TDP1L3MBTL1MAOB
SCHEMBL9754264 0.72 KCNA3 (0.63) MAPTMAPK1TDP1L3MBTL1MAOB
SCHEMBL339812 0.72 MAPT (0.71) MAPTMAPK1TDP1L3MBTL1ALPG
SCHEMBL23258867 0.71 MAPT (0.59) MAPTMAPK1TDP1L3MBTL1MAOB
SCHEMBL29473827 0.71 MAPT (0.50) MAPTMAPK1TDP1L3MBTL1MAOB

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-101407459-B Monohydroxy-2-acyl phenylacetate, and preparation and use thereof UNIV XIAMEN 2013-03-27 CN disclosed
CN-101407459-A Monohydroxy-2-acyl phenylacetate, and preparation and use thereof UNIV XIAMEN (CN) 2009-04-15 CN disclosed