SCHEMBL8290988

SCHEMBL8290988

CCO[PH](=O)C(C(=O)Nc1cc(NC(=O)C2CCN(C(=O)c3ccc4ccccc4c3)CC2)c2ccccc2c1)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.47
CTSG P08311 3/20 0.42
KMT2A Q03164 3/20 0.41
CAPN1 P07384 1/20 0.41
CTSB P07858 1/20 0.41
CMA1 P23946 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
DRD4 P21917 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL13009387 0.85 MGLL (0.48) MGLLCTSGKMT2ACAPN1CTSB
SCHEMBL13009097 0.82 MGLL (0.50) MGLLCTSGKMT2ACMA1L3MBTL1
SCHEMBL409062 0.82 CMA1 (0.57) MGLLCTSGCAPN1CTSBCMA1
SCHEMBL8291221 0.77 MGLL (0.49) MGLLCTSGKMT2ACAPN1CTSB
SCHEMBL15290587 0.77 MGLL (0.54) MGLLKMT2ACAPN1CTSBL3MBTL1
SCHEMBL27668978 0.76 MGLL (0.67) MGLLKMT2ACAPN1CTSBL3MBTL1
SCHEMBL14000867 0.76 CTSG (0.49) MGLLCTSGKMT2ACAPN1CTSB
SCHEMBL8291194 0.76 MGLL (0.55) MGLLKMT2ACAPN1CTSBL3MBTL1
SCHEMBL10197956 0.75 MGLL (0.56) MGLLKMT2ACAPN1CTSBL3MBTL1
SCHEMBL10317420 0.75 MGLL (0.50) MGLLCTSGKMT2ACAPN1CTSB

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
WO-2005073214-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 WO disclosed