SCHEMBL7440856

SCHEMBL7440856

CC(C)(C)ON(C=O)[C@@H](CC(F)(F)F)C(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CA2 P00918 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
EPHX1 P07099 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MAPT P10636 5/20 0.35
CACNA1G O43497 2/20 0.35
ALDH1A1 P00352 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34

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
SCHEMBL7440833 1.00 L3MBTL1 (0.40) L3MBTL1GAAMEN1KMT2ACA2
SCHEMBL7449263 0.89 OPRM1 (0.44) MEN1KMT2AMAOAMAOBCYP2C9
SCHEMBL7449281 0.89 OPRM1 (0.44) MEN1KMT2AMAOAMAOBCYP2C9
SCHEMBL7437324 0.85 CTSK (0.33) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL7431992 0.82 L3MBTL1 (0.44) L3MBTL1GAAMEN1KMT2ACA2
SCHEMBL7440842 0.75 CTSK (0.53) L3MBTL1GAAMAPTALDH1A1
SCHEMBL7433110 0.75
SCHEMBL7433115 0.75
SCHEMBL7445931 0.74 CTSK (0.30)
SCHEMBL7445940 0.74 CTSK (0.30)

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-6187905-B1 PEPTIDE COMPOUND WHICH INHIBITS VIRAL PROTEINASES; VIRICIDES FOR HEPATITIS C, HEPATITIS G, AND HUMAN GB VIRUSES HOFFMANN-LA ROCHE INC. 2001-02-13 US disclosed