SCHEMBL8846504

SCHEMBL8846504

[CH2]C/C(C)=C/COC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
ALOX15 P16050 2/20 0.57
PTPN1 P18031 1/20 0.46
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TRPV1 Q8NER1 2/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 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
SCHEMBL8846506 1.00 ALDH1A1 (0.57) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL9510631 0.89 ALDH1A1 (0.71) ALDH1A1ALOX15PTPN1TRPV1FNTA
SCHEMBL9506883 0.89 ALDH1A1 (0.71) ALDH1A1ALOX15PTPN1TRPV1FNTA
SCHEMBL9510628 0.89 ALDH1A1 (0.71) ALDH1A1ALOX15PTPN1TRPV1FNTA
SCHEMBL9506887 0.89 ALDH1A1 (0.71) ALDH1A1ALOX15PTPN1TRPV1FNTA
SCHEMBL11039024 0.80 ALDH1A1 (0.55) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL11039021 0.80 ALDH1A1 (0.55) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL5372580 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL11107871 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL21856602 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15PTPN1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234496-B2 Process for preparing alpha, beta-unsaturated aldehydes KURARAY CO (JP) 1997-07-23 EP claimed
US-4745229-A OXIDATION, DECHLORINATION KURARAY COMPANY LTD. (JP) 1988-05-17 US claimed
EP-0234496-A2 Process for preparing alpha, beta-unsaturated aldehydes Kuraray Co., Ltd. (JP) 1987-09-02 EP claimed
EP-0234496-B2 Process for preparing alpha, beta-unsaturated aldehydes KURARAY CO (JP) 1997-07-23 EP disclosed
EP-0282914-B1 PROCESS FOR PREPARING CHLORINATED OLEFINS KURARAY CO., LTD. (JP) 1993-09-29 EP 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
US-4745229-A OXIDATION, DECHLORINATION KURARAY COMPANY LTD. (JP) 1988-05-17 US disclosed
EP-0234496-A2 Process for preparing alpha, beta-unsaturated aldehydes Kuraray Co., Ltd. (JP) 1987-09-02 EP disclosed