SCHEMBL7442344

SCHEMBL7442344

CC(C)(C)ON(C=O)C(CC(F)(F)F)C(=O)C(=O)NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
RIPK1 Q13546 1/20 0.37
LMNA P02545 4/20 0.36
RAB9A P51151 1/20 0.36
OPRK1 P41145 1/20 0.36
ATM Q13315 1/20 0.35
TXNRD1 Q16881 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.35
PPID Q08752 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
SCHEMBL7442363 1.00 CTSK (0.43) CTSKALDH1A1MAPTMEN1KMT2A
SCHEMBL7437313 0.89 CTSK (0.33) CTSKALDH1A1MAPTMEN1KMT2A
SCHEMBL7437324 0.89 CTSK (0.33) CTSKALDH1A1MAPTMEN1KMT2A
SCHEMBL7435950 0.89 EPHX2 (0.39) CTSKALDH1A1MAPT
SCHEMBL7435958 0.89 EPHX2 (0.39) CTSKALDH1A1MAPT
SCHEMBL7443186 0.87 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7443195 0.87 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7440833 0.86 L3MBTL1 (0.40) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL7440856 0.86 L3MBTL1 (0.40) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL7449263 0.85 OPRM1 (0.44) ALDH1A1MAPTMEN1KMT2AOPRK1

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