SCHEMBL5322256

SCHEMBL5322256

NC(=O)CC[C@H](NC(=O)C1CCCCC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
EPHX2 P34913 1/20 0.40
LMNA P02545 1/20 0.40
FOLH1 Q04609 1/20 0.40
RIMKLA Q8IXN7 1/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.40
CHRNB2 P17787 3/20 0.39
CHRNB4 P30926 3/20 0.39
CHRNA3 P32297 3/20 0.39
CHRNA4 P43681 3/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRM1 Q13255 1/20 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
SCHEMBL5322259 1.00 KMT2A (0.43) KMT2APOLBCA2CA1EPHX2
SCHEMBL1201142 0.92 KMT2A (0.46) KMT2APOLBCA2CA1LMNA
SCHEMBL1201139 0.92 KMT2A (0.46) KMT2APOLBCA2CA1LMNA
SCHEMBL7901558 0.87 FOLH1 (0.55) POLBEPHX2LMNAFOLH1RIMKLA
SCHEMBL1075861 0.84 ECE1 (0.42) CA2LMNACHRNB2CHRNB4CHRNA3
SCHEMBL5322759 0.84 ECE1 (0.42) CA2LMNACHRNB2CHRNB4CHRNA3
SCHEMBL15871501 0.84 BMP1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4GRIN1
SCHEMBL9716652 0.81 CTSB (0.50) CHRNB2CHRNB4CHRNA3CHRNA4GRIN1
SCHEMBL9716645 0.81 CTSB (0.50) CHRNB2CHRNB4CHRNA3CHRNA4GRIN1
SCHEMBL9716657 0.81 CTSB (0.50) CHRNB2CHRNB4CHRNA3CHRNA4GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1052968-B1 ALPHA-AMIDES OF(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2007-12-05 EP claimed
EP-1052968-A4 $g(a)-AMIDES OF $i(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2004-09-15 EP claimed
EP-1052968-A1 $g(a)-AMIDES OF $i(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 2000-11-22 EP claimed
US-5932198-A α-amides of L-amino acids as fragrance precursors THE GILLETTE COMPANY (US) 1999-08-03 US claimed
WO-1999030680-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO claimed
EP-1052968-B1 ALPHA-AMIDES OF(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2007-12-05 EP disclosed
EP-1052968-A4 $g(a)-AMIDES OF $i(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2004-09-15 EP disclosed
EP-1052968-A1 $g(a)-AMIDES OF $i(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 2000-11-22 EP disclosed
US-5932198-A α-amides of L-amino acids as fragrance precursors THE GILLETTE COMPANY (US) 1999-08-03 US disclosed
WO-1999030680-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO disclosed