SCHEMBL7563765

SCHEMBL7563765

CCc1ccc(C(C)NC(=O)C(NC(=O)OC(C)C)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACACB O00763 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE2A O00408 1/20 0.40
ALOX5 P09917 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
ACACA Q13085 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 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
SCHEMBL22267 0.85 TAS1R3 (0.40) ALDH1A1HPGDHTTL3MBTL1ACACB
SCHEMBL10170773 0.85 TAS1R3 (0.40) ALDH1A1HPGDHTTL3MBTL1ACACB
SCHEMBL6648721 0.85 TAS1R3 (0.40) ALDH1A1HPGDHTTL3MBTL1ACACB
SCHEMBL675390 0.85 TAS1R3 (0.40) ALDH1A1HPGDHTTL3MBTL1ACACB
SCHEMBL3030564 0.85 TAS1R3 (0.40) ALDH1A1HPGDHTTL3MBTL1ACACB
SCHEMBL7563131 0.84 PRCP (0.46) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL7567444 0.83 SMN1; SMN2 (0.51) ALDH1A1HPGDL3MBTL1ACACBKMT2A
SCHEMBL9178799 0.81 KMT2A (0.55) LMNAHTTHSD17B10MEN1KMT2A
SCHEMBL9178097 0.81 KMT2A (0.55) LMNAHTTHSD17B10MEN1KMT2A
Phosphonic Acid SCHEMBL5088434 0.81 TAS1R3 (0.37) ALDH1A1HPGDHTTL3MBTL1ACACB

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-0946093-B1 FUNGICIDAL COMPOSITIONS BASED ON (N-PHENYLACETYL-N-2,6-XYLYL)METHYL ALANINATE ISAGRO SPA (IT) 2002-08-28 EP claimed
US-6228885-B1 Fungicidal compositions based on (N-phenylacetyl-N-2,6-XYLYL)methyl alaninate ISAGRO S.P.A. (IT) 2001-05-08 US claimed
EP-0946093-B1 FUNGICIDAL COMPOSITIONS BASED ON (N-PHENYLACETYL-N-2,6-XYLYL)METHYL ALANINATE ISAGRO SPA (IT) 2002-08-28 EP disclosed
US-6228885-B1 Fungicidal compositions based on (N-phenylacetyl-N-2,6-XYLYL)methyl alaninate ISAGRO S.P.A. (IT) 2001-05-08 US disclosed