SCHEMBL8480468

SCHEMBL8480468

COc1c[c]cc(OCc2ccccc2)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HTR1A P08908 4/20 0.49
ADRA1D P25100 4/20 0.49
ADRA1A P35348 4/20 0.49
ADRA1B P35368 4/20 0.49
APP P05067 1/20 0.46
RXRA P19793 1/20 0.45
ATM Q13315 1/20 0.44
MAOB P27338 1/20 0.44
LIPE Q05469 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABCB1 P08183 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7004776 0.83 HTR1A (0.49) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL7004124 0.83 BCHE (0.50) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL1253794 0.81 MAPT (0.85) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL339374 0.80 HTR1A (0.53) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL182637 0.80 HTR1A (0.53) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL8474968 0.78 HTR1A (0.46) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL8479883 0.77 HTR1A (0.43) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL5253085 0.77 MAPT (0.50) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL4198960 0.76 MAPT (0.44) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL791853 0.76 HTR1A (0.74) MAPTMAPK1TDP1L3MBTL1HTR1A

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-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed