SCHEMBL11301704

SCHEMBL11301704

NCCCC=COc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
LTA4H P09960 2/20 0.40
PLA2G2A P14555 1/20 0.40
AOC3 Q16853 1/20 0.40
HRH1 P35367 2/20 0.38
MAOA P21397 1/20 0.36
TSHR P16473 1/20 0.36
KCNA3 P22001 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL29793949 0.80 AOC3 (0.33) LTA4HPLA2G2AAOC3MAOATSHR
SCHEMBL7969598 0.79 AOC3 (0.55) TAAR1LTA4HPLA2G2AAOC3HRH1
SCHEMBL527141 0.79 AOC3 (0.55) TAAR1LTA4HPLA2G2AAOC3HRH1
SCHEMBL187389 0.79 LTA4H (0.35) LTA4HAOC3TSHRKCNA3
SCHEMBL31106429 0.78 LTA4H (0.47) LTA4HHRH1MAOAHTR2A
SCHEMBL28710286 0.78 LTA4H (0.47) LTA4HHRH1MAOAHTR2A
SCHEMBL11742595 0.78 EPHX2 (0.39) LTA4HTSHRKCNA3
SCHEMBL8601466 0.78 LTA4H (0.47) LTA4HHRH1MAOAHTR2A
SCHEMBL29653962 0.77 LTA4H (0.46) LTA4HHRH1MAOAHTR2A
SCHEMBL21062281 0.75 LTA4H (0.47) LTA4HPLA2G2AHRH1MAOATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0002812-B1 PHENOXY-ALKYL OXAZOLINES, THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR APPLICATION AS HERBICIDES CIBA-GEIGY AG (CH) 1982-02-03 EP claimed
EP-0003297-B1 PHENOXY-ALKYL-OXAZOLINES, THEIR PREPARATION, HERBICIDE COMPOSITIONS CONTAINING THEM, AND THEIR APPLICATION CIBA-GEIGY AG (CH) 1981-05-13 EP claimed
US-4227914-A Herbicidal phenoxyalkyloxazolines CIBA-GEIGY CORPORATION (US) 1980-10-14 US disclosed
US-4225336-A Phenoxyalkyloxazolines, as selective herbicides in cereals CIBA-GEIGY CORPORATION (US) 1980-09-30 US disclosed