SCHEMBL5275396

SCHEMBL5275396

NC(=O)CC[C@H](NC(=O)CC1CCCCC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
KMT2A Q03164 2/20 0.42
EPHX1 P07099 1/20 0.42
HPGD P15428 1/20 0.42
CPB2 Q96IY4 4/20 0.40
GNPAT O15228 1/20 0.40
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5275391 1.00 EPHX2 (0.44) EPHX2KMT2AEPHX1HPGDCPB2
SCHEMBL5274437 0.85 KMT2A (0.45) EPHX2KMT2AEPHX1HPGDGRN
SCHEMBL5274432 0.85 KMT2A (0.45) EPHX2KMT2AEPHX1HPGDGRN
SCHEMBL4057394 0.82 EPHX1 (0.45) EPHX2KMT2AEPHX1HPGDCPB2
SCHEMBL4058648 0.80 SMN1; SMN2 (0.42) EPHX2KMT2AEPHX1HPGDCPB2
SCHEMBL6138088 0.80 HPGD (0.49) EPHX2KMT2AEPHX1HPGDGRN
SCHEMBL6138089 0.80 HPGD (0.49) EPHX2KMT2AEPHX1HPGDGRN
SCHEMBL17771353 0.79 CPB2 (0.57) CPB2
SCHEMBL5322259 0.79 KMT2A (0.43) EPHX2KMT2ACA2CA1
SCHEMBL5322256 0.79 KMT2A (0.43) EPHX2KMT2ACA2CA1

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