SCHEMBL8082086

SCHEMBL8082086

[CH](CCCC1CCCC1)CCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
SIGMAR1 Q99720 4/20 0.46
EPHX1 P07099 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
KDM5A P29375 2/20 0.32
PHF8 Q9UPP1 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM4A O75164 1/20 0.32

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
SCHEMBL7854963 0.93 SIGMAR1 (0.50) CYP1A2SIGMAR1EPHX1GPR84KDM5A
SCHEMBL9242305 0.93 CYP1A2 (0.52) CYP1A2SIGMAR1EPHX1GPR84ADH1B
SCHEMBL6877800 0.90 CYP1A2 (0.46) CYP1A2SIGMAR1EPHX1ADH1BADH1C
SCHEMBL8837639 0.88 SIGMAR1 (0.54) CYP1A2SIGMAR1EPHX1GPR84KDM5A
SCHEMBL9450346 0.87 CYP1A2 (0.42) CYP1A2SIGMAR1EPHX1ADH1BADH1C
SCHEMBL6057656 0.85 SIGMAR1 (0.50) CYP1A2SIGMAR1EPHX1GPR84KDM5A
SCHEMBL892127 0.85 CYP1A2 (0.68) CYP1A2SIGMAR1
SCHEMBL9115612 0.85 CYP1A2 (0.45) CYP1A2SIGMAR1EPHX1GPR84
SCHEMBL11288289 0.85 CYP1A2 (0.61) CYP1A2SIGMAR1
SCHEMBL7228538 0.85 CYP1A2 (0.61) CYP1A2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824514-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP disclosed