SCHEMBL9626466

SCHEMBL9626466

CCCCn1c(C)c(C(c2ccc(OC)cc2)c2c(C)n(CCCC)c3ccccc23)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.53
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
GRIK2 Q13002 1/20 0.44
NPC1 O15118 1/20 0.44
SMPD1 P17405 2/20 0.44
PGR P06401 1/20 0.43
RORA P35398 1/20 0.43
RORC P51449 1/20 0.43
RORB Q92753 1/20 0.43
CNR1 P21554 3/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL9657130 0.87 GRIK2 (0.54) CNR2KDM4EGRIK2NPC1ALDH1A1
SCHEMBL9658044 0.87 RORA (0.49) CNR2KDM4EPGRRORARORC
SCHEMBL10528703 0.85 KDM4E (0.47) CNR2KDM4EHSD17B10GRIK2NPC1
SCHEMBL9657145 0.84 PGR (0.54) CNR2KDM4EPGRRORARORC
SCHEMBL10529204 0.82 RORA (0.45) CNR2KDM4EPGRRORARORC
SCHEMBL9657072 0.82 CNR2 (0.52) CNR2KDM4ECNR1
SCHEMBL10935138 0.80 RORA (0.42) CNR2KDM4EPGRRORARORC
SCHEMBL9657059 0.79 CNR2 (0.39) CNR2KDM4EHSD17B10PGRRORA
SCHEMBL9626437 0.76 TP53 (0.46) KDM4EHSD17B10GRIK2NPC1ALDH1A1
SCHEMBL10469607 0.75 GRIK2 (0.52) CNR2KDM4EGRIK2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0156912-B1 TEMPERATURE SUPERVISION AND DISPLAY UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-05-13 EP disclosed
US-4729671-A FOR FROZEN FOODS AND DRUGS, METHANE DYES MITSUI TOATSU CHEMICALS, INC. (JP) 1988-03-08 US disclosed