SCHEMBL4647575

SCHEMBL4647575

C[CH]C(=O)C(=O)COC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GALR3 O60755 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33

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
SCHEMBL4642462 0.77 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10GALR3CHRM5
SCHEMBL21715099 0.75
SCHEMBL4647834 0.74 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10TSHRFAAH
SCHEMBL4642316 0.74 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GALR3CHRM5
SCHEMBL3240184 0.72
SCHEMBL2149292 0.72
SCHEMBL6671546 0.72
SCHEMBL10986742 0.72 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10GALR3CHRM5
SCHEMBL28238199 0.72 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10GALR3CHRM5
SCHEMBL9997723 0.71 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10GALR3CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed