SCHEMBL7478762

SCHEMBL7478762

COC(=O)C[C@H](c1ccc(C)cc1)N(C(=O)OC(C)C)C(=O)[C@@H](N)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.34
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
ACHE P22303 1/20 0.33
ALOX5 P09917 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
STAT3 P40763 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL7479753 1.00 KCNA5 (0.34) KCNA5MAPTRAB9AALDH1A1HTT
SCHEMBL6914071 1.00 KCNA5 (0.34) KCNA5MAPTRAB9AALDH1A1HTT
SCHEMBL6910620 0.91 L3MBTL1 (0.36) KCNA5MAPTRAB9AALDH1A1L3MBTL1
SCHEMBL7482080 0.91 RAB9A (0.38) RAB9AALDH1A1ALOX5L3MBTL1CYP2C19
SCHEMBL6910809 0.91 L3MBTL1 (0.36) KCNA5MAPTRAB9AALDH1A1L3MBTL1
SCHEMBL6911944 0.91 RAB9A (0.38) RAB9AALDH1A1ALOX5L3MBTL1CYP2C19
SCHEMBL5970095 0.91 L3MBTL1 (0.36) KCNA5MAPTRAB9AALDH1A1L3MBTL1
SCHEMBL7481704 0.91 RAB9A (0.38) RAB9AALDH1A1ALOX5L3MBTL1CYP2C19
SCHEMBL6904706 0.88 HTT (0.44) KCNA5MAPTRAB9AHTTL3MBTL1
SCHEMBL7473573 0.88 HTT (0.44) KCNA5MAPTRAB9AHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448228-B1 FUNCTIONALIZED OLIGOPEPTIDE HAVING HIGH FUNGICIDAL ACTIVITY; ONE OR TWO ALIPHATIC AMINO ACIDS SUCH AS VALINE, LEUCINE AND ISOLEUCINE, CONJUGATED TO ONE OR TWO AROMATIC AMINO ACIDS, SUCH AS PHENYL-GLYCINE, PHENYLALANINE AND BETA-PHENYLALANINE ISAGRO RICERCA S.R.L. (IT) 2002-09-10 US claimed