SCHEMBL9657083

SCHEMBL9657083

CCCCCCCCn1c(C)c(-c2cccc(C)c2-c2c(C)n(CCCCCCCC)c3ccccc23)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 16/20 0.50
▸ CNR1 P21554 9/20 0.50
▸ SLC6A3 Q01959 1/20 0.48
▸ TLR8 Q9NR97 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NTSR1 P30989 1/20 0.44
▸ NLRP3 Q96P20 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL29673705 0.88 CNR2 (0.53) CNR2CNR1SLC6A3
SCHEMBL31498033 0.84 CNR2 (0.59) CNR2CNR1SLC6A3TLR8MAPT
SCHEMBL7454328 0.84 ALDH1A1 (0.44) KDM4EMAPTMEN1NPC1ALDH1A1
SCHEMBL28763406 0.79 KDM4E (0.63) CNR2CNR1SLC6A3KDM4EMAPT
SCHEMBL9659214 0.77 SMN1; SMN2 (0.51) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL9869124 0.77 CNR2 (0.62) CNR2CNR1SLC6A3
SCHEMBL8713616 0.75 CNR2 (0.44) CNR2CNR1SLC6A3KDM4EMAPT
SCHEMBL6013329 0.74 KDM4E (0.59) CNR2CNR1SLC6A3KDM4EALDH1A1
SCHEMBL1000878 0.74 PGR (0.64) CNR2
SCHEMBL5153894 0.74 PGR (0.64) CNR2

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
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
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