SCHEMBL9313118

SCHEMBL9313118

COC(CCCNC(=O)c1cccc(C(=O)NCCCC(OC)OC)c1)OC

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ KMT2A Q03164 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MAPT P10636 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ PAX8 Q06710 1/20 0.48
▸ TP53BP1 Q12888 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MMP13 P45452 1/20 0.47
▸ NAMPT P43490 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ NAAA Q02083 1/20 0.45

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
SCHEMBL9313528 0.87 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1L3MBTL1NAAA
SCHEMBL18918531 0.83 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AGAAHSD17B10MAPT
SCHEMBL16213688 0.81 ALDH1A1 (0.53) SMN1; SMN2TDP1ALDH1A1L3MBTL1
SCHEMBL18918566 0.81 SMN1; SMN2 (0.57) SMN1; SMN2KMT2AGAAHSD17B10MAPT
SCHEMBL9312206 0.81 KMT2A (0.67) SMN1; SMN2KMT2AGAAHSD17B10MAPT
SCHEMBL23223763 0.80 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AGAAMAPTMEN1
SCHEMBL16213694 0.79 ALDH1A1 (0.54) SMN1; SMN2TDP1ALDH1A1L3MBTL1
SCHEMBL23223972 0.79 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AGAAHSD17B10MAPT
SCHEMBL10137830 0.78 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AGAAHSD17B10MAPT
SCHEMBL16117373 0.77 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AGAAHSD17B10MAPT

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
US-5360876-A Formaldehyde-free BURGOYNE JR WILLIAM F (US) 1994-11-01 — — US claimed
US-5360876-A Formaldehyde-free BURGOYNE JR WILLIAM F (US) 1994-11-01 — — US disclosed
US-5336807-A Diurea-,-carbamate- or -amide-containing acetal compounds; stable as solids or liquids; replace formaldehyde-containing resin crosslinkers in adhesives and coatings AIR PRODUCTS & CHEMICALS, INC. (US) 1994-08-09 — — US disclosed
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