SCHEMBL9506913

SCHEMBL9506913

[CH2]CC(C)CCOC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.56
ALDH1A1 P00352 3/20 0.41
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 4/20 0.40
TSHR P16473 3/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNA7 P36544 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40
GALR3 O60755 2/20 0.39

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
SCHEMBL7552905 0.86 ALOX15 (0.70) ALOX15ALDH1A1CHRNB2CHRNA4TSHR
SCHEMBL11619041 0.80 ALOX15 (0.58) ALOX15ALDH1A1CHRNB2CHRNA4TSHR
SCHEMBL4840226 0.80 ALOX15 (0.58) ALOX15ALDH1A1CHRNB2CHRNA4TSHR
SCHEMBL10592155 0.80 ALOX15 (0.58) ALOX15ALDH1A1CHRNB2CHRNA4TSHR
SCHEMBL25340160 0.78 ALOX15 (0.61) ALOX15ALDH1A1CHRNB2CHRNA4TSHR
SCHEMBL15542057 0.78 ALOX15 (0.61) ALOX15ALDH1A1CHRNB2CHRNA4TSHR
SCHEMBL10982034 0.78 ALOX15 (0.43) ALOX15ALDH1A1CHRNB2CHRNA4TSHR
SCHEMBL25341538 0.78 ALOX15 (0.61) ALOX15ALDH1A1CHRNB2CHRNA4TSHR
SCHEMBL7553169 0.78 ALOX15 (0.61) ALOX15ALDH1A1CHRNB2CHRNA4TSHR
SCHEMBL14665241 0.78 ALOX15 (0.61) ALOX15ALDH1A1CHRNB2CHRNA4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210315-A Oxidizing olefins using a ruthenium catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 1993-05-11 US claimed
EP-0282914-B1 PROCESS FOR PREPARING CHLORINATED OLEFINS KURARAY CO., LTD. (JP) 1993-09-29 EP disclosed
US-5210315-A Oxidizing olefins using a ruthenium catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 1993-05-11 US disclosed
US-4827056-A HYPOCHLOROUS ACID KURARAY COMPANY LTD. (JP) 1989-05-02 US disclosed
EP-0282914-A2 Process for preparing chlorinated olefins KURARAY CO., LTD. (JP) 1988-09-21 EP disclosed