SCHEMBL7443775

SCHEMBL7443775

Cc1ccc(NC(=O)C(=O)C(CC(F)(F)F)NC(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.41
CTSK P43235 4/20 0.41
CISD2 Q8N5K1 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CCR2 P41597 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 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
SCHEMBL7433368 0.89 RAB9A (0.42) SMN1; SMN2MAPTPOLBATMMEN1
SCHEMBL7435933 0.80 SMN1; SMN2 (0.50) SMN1; SMN2MAPTPOLBATMMEN1
SCHEMBL8297312 0.77 SMN1; SMN2 (0.63) SMN1; SMN2MAPTPOLBATMMEN1
SCHEMBL7440796 0.76 CTSK (0.64) CTSKHTT
SCHEMBL7433111 0.76 CTSK (0.49) CTSKHTTPPARGPPARA
SCHEMBL7446907 0.75 CTSK (0.56) CTSKPPARGPPARA
SCHEMBL7437012 0.74 CTSK (0.71) MEN1KMT2ACTSK
SCHEMBL7443783 0.74 SMN1; SMN2 (0.40) SMN1; SMN2MAPTATMMEN1KMT2A
SCHEMBL7443743 0.74 CTSK (0.51) CTSKHTT
SCHEMBL7436561 0.73 CTSK (0.47) CTSKHTT

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