SCHEMBL10138758

SCHEMBL10138758

Cc1ccc(C(NC(=O)[C@@H](N)c2ccccc2)c2ccc(C)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.69
ALDH1A1 P00352 4/20 0.50
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
SLC6A9 P48067 1/20 0.47
KEAP1 Q14145 4/20 0.47
NFE2L2 Q16236 4/20 0.47
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B2 P37059 1/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
PRCP P42785 1/20 0.42

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
SCHEMBL12604986 1.00 LMNA (0.69) LMNAALDH1A1S1PR1S1PR3SLC6A9
SCHEMBL9614499 0.82 LMNA (0.61) LMNAALDH1A1SLC6A9KEAP1NFE2L2
SCHEMBL9614501 0.82 LMNA (0.61) LMNAALDH1A1SLC6A9KEAP1NFE2L2
SCHEMBL22408310 0.81 LMNA (1.00) LMNAALDH1A1SLC6A9KEAP1NFE2L2
SCHEMBL28166495 0.81 LMNA (0.64) LMNAALDH1A1SLC6A9KEAP1NFE2L2
Hydrochloric Acid SCHEMBL28055613 0.80 LMNA (0.97) LMNAALDH1A1SLC6A9KEAP1NFE2L2
SCHEMBL14409534 0.80 LMNA (0.72) LMNAALDH1A1SLC6A9KEAP1NFE2L2
SCHEMBL6717100 0.79 ALDH1A1 (0.63) LMNAALDH1A1S1PR3MEN1KMT2A
SCHEMBL6717109 0.79 ALDH1A1 (0.63) LMNAALDH1A1S1PR3MEN1KMT2A
SCHEMBL2067770 0.78 LMNA (0.56) LMNAALDH1A1SLC6A9CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed