SCHEMBL10604249

SCHEMBL10604249

CCCCOc1cccc2c(OCc3ccccc3)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HTR1A P08908 7/20 0.53
ADRA1D P25100 7/20 0.53
ADRA1A P35348 7/20 0.53
ADRA1B P35368 7/20 0.53
HTR1B P28222 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
C5AR1 P21730 1/20 0.48
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48
HTR1D P28221 1/20 0.48
LIPE Q05469 1/20 0.47
KCNA3 P22001 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
SCHEMBL10605002 0.95 C5AR1 (0.52) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL12745447 0.90 HTR1A (0.63) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL10605182 0.86 HTR1A (0.51) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL30503960 0.86 CYP2C9 (0.59) TDP1L3MBTL1HTR1BCYP1A2CYP2C9
SCHEMBL2924471 0.86 CYP2C9 (0.59) TDP1L3MBTL1HTR1BCYP1A2CYP2C9
SCHEMBL12627780 0.84 MAPT (0.50) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL12745444 0.84 HTR1A (0.61) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL12745448 0.83 HTR1A (0.59) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL16519470 0.82 CYP2C9 (0.60) TDP1L3MBTL1HTR1BCYP1A2CYP2C9
SCHEMBL9770405 0.82 CNR1 (0.59) TDP1L3MBTL1HTR1BCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0189760-B1 THERMOSENSITIVE RECORDING SHEET JUJO PAPER CO., LTD. (JP) 1989-07-19 EP disclosed
US-4721701-A Thermosensitive recording sheet JUJO PAPER CO., LTD. (JP) 1988-01-26 US disclosed
EP-0189760-A1 Thermosensitive recording sheet JUJO PAPER CO., LTD. (JP) 1986-08-06 EP disclosed