SCHEMBL6138081

SCHEMBL6138081

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
EPHX1 P07099 1/20 0.46
KMT2A Q03164 1/20 0.46
LTA4H P09960 1/20 0.45
EPHX2 P34913 5/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RX7 Q99572 1/20 0.38
CTSD P07339 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6138080 1.00 HPGD (0.46) HPGDEPHX1KMT2ALTA4HEPHX2
SCHEMBL11357838 0.89 ALDH1A1 (0.53) HPGDEPHX1KMT2ALTA4HEPHX2
SCHEMBL15906239 0.87 ALDH1A1 (0.54) HPGDEPHX1KMT2ALTA4HEPHX2
SCHEMBL296883 0.84 L3MBTL1 (0.54) HPGDEPHX1KMT2ALTA4HEPHX2
SCHEMBL6136289 0.81 LTA4H (0.55) HPGDEPHX1KMT2ALTA4HEPHX2
SCHEMBL6136293 0.81 LTA4H (0.55) HPGDEPHX1KMT2ALTA4HEPHX2
SCHEMBL7437533 0.81 HPGD (0.57) HPGDEPHX1KMT2ALTA4HEPHX2
SCHEMBL6136574 0.80 LTA4H (0.52) HPGDEPHX1KMT2ALTA4HEPHX2
SCHEMBL4414768 0.80 LTA4H (0.52) HPGDEPHX1KMT2ALTA4HEPHX2
SCHEMBL7882899 0.79 KMT2A (0.53) HPGDEPHX1KMT2AEPHX2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6238655-B1 USEFUL IN THE FORMULATION OF DEODORANTS, ANTIPERSPIRANTS, BODY SPRAYS, AND OTHER SKIN TREATMENT COMPOSITIONS. THE GILLETTE COMPANY 2001-05-29 US claimed
EP-1047391-A4 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2005-01-19 EP disclosed
US-6238655-B1 USEFUL IN THE FORMULATION OF DEODORANTS, ANTIPERSPIRANTS, BODY SPRAYS, AND OTHER SKIN TREATMENT COMPOSITIONS. THE GILLETTE COMPANY 2001-05-29 US disclosed
EP-1047391-A1 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 2000-11-02 EP disclosed
WO-1999030679-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO disclosed