SCHEMBL9658356

SCHEMBL9658356

COc1ccc(C(c2ccc(OC)cc2)c2ccc(N3CCCC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
ADRB1 P08588 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
MAPT P10636 5/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 2/20 0.52
NR4A1 P22736 1/20 0.52
MCL1 Q07820 1/20 0.52
DRD2 P14416 1/20 0.50
IGF1R P08069 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC2A1 P11166 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL2925759 0.89 HTR3E (0.68) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL20748280 0.87 HTR3E (0.66) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL20415006 0.87 HTR3E (0.66) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL107369 0.87 HTR3E (0.66) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL20415005 0.87 HTR3E (0.66) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL15906495 0.81 HTR3E (0.47) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL28599511 0.80 HTR3E (0.73) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL29656856 0.80 HTR3E (0.73) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL10769390 0.79 HTR3E (0.56) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL18409051 0.79 HTR3E (0.56) HTR3EHTR3BADRB1HTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130291-A HEAT-SENSITIVE RECORDING PAPER OSAKA SEALING PRINTING CO., LTD. (JP) 1992-07-14 US disclosed
EP-0133182-B1 OXIDATION-REDUCTION COLOR PRODUCTION-TYPE HEAT-SENSITIVE RECORDING UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-03-15 EP disclosed
EP-0055847-B1 PRESSURE SENSITIVE RECORDING UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-04-02 EP disclosed
US-4561000-A METHINE-TYPE CHROMOGEN, BENZOQUINONE OXIDIZER, COLOR PRODUCTION SENSITIVITY REGULATOR, SUBSTRATE MITSUI TOATSU CHEMICALS, INC. (JP) 1985-12-24 US disclosed
EP-0058430-B1 DYESTUFF-CONTAINING MICROSCOPIC CAPSULE DISPERSION FOR RECORD MATERIALS MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-12-04 EP disclosed
EP-0133182-A1 OXIDATION-REDUCTION COLOR PRODUCTION-TYPE HEAT-SENSITIVE RECORDING UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-02-20 EP disclosed
US-4398753-A METHINE-TYPE DYES AND QUINONE DERIVATIVE IN REDOX SYSTEM FOR CARBON-FREE REPRODUCTION MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1983-08-16 US disclosed
US-4384871-A Dyestuff-containing microscopic capsule dispersion for record materials MITSUI TOATSU CHEMICALS, INC. (JP) 1983-05-24 US disclosed
EP-0058430-A1 Dyestuff-containing microscopic capsule dispersion for record materials MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-08-25 EP disclosed
EP-0055847-A1 Pressure sensitive recording unit MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-07-14 EP disclosed