SCHEMBL9657145

SCHEMBL9657145

CCCCn1c(C)c(C(c2c(C)n(CCCC)c3ccccc23)c2c(C)n(CCCC)c3ccccc23)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.54
RORA P35398 2/20 0.54
RORC P51449 2/20 0.54
RORB Q92753 2/20 0.54
CNR2 P34972 12/20 0.51
CNR1 P21554 5/20 0.51
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 2/20 0.47

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
SCHEMBL9658044 0.91 RORA (0.49) PGRRORARORCRORBCNR2
SCHEMBL10529204 0.86 RORA (0.45) PGRRORARORCRORBCNR2
SCHEMBL9657072 0.86 CNR2 (0.52) CNR2CNR1KDM4ESLC6A3
SCHEMBL9626466 0.84 CNR2 (0.53) PGRRORARORCRORBCNR2
SCHEMBL10935138 0.83 RORA (0.42) PGRRORARORCRORBCNR2
SCHEMBL9657046 0.83 ALDH1A1 (0.52) PGRALDH1A1KDM4ELMNAHPGD
SCHEMBL10654147 0.79 PGR (0.55) PGRRORARORCRORBCNR2
SCHEMBL1335135 0.79 PGR (0.73) PGRRORARORCRORBCNR2
SCHEMBL29531665 0.79 PGR (0.73) PGRRORARORCRORBCNR2
SCHEMBL9657059 0.78 CNR2 (0.39) PGRRORARORCRORBCNR2

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 6 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
US-4561000-A METHINE-TYPE CHROMOGEN, BENZOQUINONE OXIDIZER, COLOR PRODUCTION SENSITIVITY REGULATOR, SUBSTRATE MITSUI TOATSU CHEMICALS, INC. (JP) 1985-12-24 US 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
EP-0055847-A1 Pressure sensitive recording unit MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-07-14 EP disclosed