SCHEMBL9422142

SCHEMBL9422142

C=CCOC(=O)C(C)=CN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 2/20 0.38
TSHR P16473 3/20 0.36
LMNA P02545 4/20 0.35
POLB P06746 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 3/20 0.32
MAPT P10636 3/20 0.32
RAB9A P51151 2/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.31
P2RY12 Q9H244 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
USP2 O75604 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL11758469 0.89 CYP3A4 (0.37) ALDH1A1TSHRCYP3A4KMT2AMAPT
SCHEMBL3129793 0.83 ALDH1A1 (0.57) ALDH1A1GAARECQLTSHRLMNA
SCHEMBL3335814 0.77 RECQL (0.56) ALDH1A1GAARECQLTSHRSMN1; SMN2
SCHEMBL21445999 0.74 TSHR (0.43) ALDH1A1RECQLTSHRLMNAPOLB
SCHEMBL22534491 0.74 POLB (0.39) ALDH1A1GAARECQLTSHRLMNA
SCHEMBL20448900 0.74 ALDH1A1 (0.51) ALDH1A1GAARECQLTSHRLMNA
SCHEMBL27970300 0.72 RECQL (0.37) ALDH1A1GAARECQLSMN1; SMN2MAPT
SCHEMBL4416632 0.71 SMN1; SMN2 (0.43) ALDH1A1GAARECQLPOLBSMN1; SMN2
SCHEMBL340385 0.71 SMN1; SMN2 (0.43) ALDH1A1GAARECQLPOLBSMN1; SMN2
SCHEMBL9422139 0.71 KDM4E (0.43) ALDH1A1TSHRLMNAPOLBSMN1; SMN2

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-0290676-B1 Improved disinfectant polymeric coatings for hard surfaces ECOLAB INC (US) 1994-08-17 EP claimed
US-4999386-A Germicidal agent contained in polymer film, sustained release ECOLAB INC. (US) 1991-03-12 US claimed
US-4883828-A Disinfectant polymeric coatings for hard surfaces ECOLAB INC. (US) 1989-11-28 US claimed
EP-0290676-A2 Improved disinfectant polymeric coatings for hard surfaces ECOLAB INC. (US) 1988-11-17 EP claimed