SCHEMBL7478255

SCHEMBL7478255

COC(=O)C[C@@H](c1nc2cc(Cl)ccc2s1)N(C(=O)OC(C)C)C(=O)[C@@H](N)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SENP7 Q9BQF6 2/20 0.38
ALOX5 P09917 3/20 0.37
PPARA Q07869 8/20 0.37
AKR1B1 P15121 1/20 0.36
AGPAT2 O15120 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
SCN9A Q15858 1/20 0.33
IDO1 P14902 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL7479002 1.00 SENP7 (0.38) SENP7ALOX5PPARAAKR1B1AGPAT2
SCHEMBL6910902 1.00 SENP7 (0.38) SENP7ALOX5PPARAAKR1B1AGPAT2
SCHEMBL6905273 0.91 AKR1B1 (0.41) SENP7ALOX5PPARAAKR1B1CYP1A2
SCHEMBL6914078 0.87 TSHR (0.43) ALOX5L3MBTL1LOXL2
SCHEMBL7476453 0.87 TSHR (0.43) ALOX5L3MBTL1LOXL2
SCHEMBL7473224 0.87 TSHR (0.43) ALOX5L3MBTL1LOXL2
SCHEMBL6910671 0.81 PPARA (0.43) SENP7ALOX5PPARAAKR1B1AGPAT2
SCHEMBL6910809 0.80 L3MBTL1 (0.36) CYP2D6CYP2C9CYP2C19L3MBTL1
SCHEMBL5970095 0.80 L3MBTL1 (0.36) CYP2D6CYP2C9CYP2C19L3MBTL1
SCHEMBL6910620 0.80 L3MBTL1 (0.36) CYP2D6CYP2C9CYP2C19L3MBTL1

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