SCHEMBL10709727

SCHEMBL10709727

CC(C)(C)OC(=O)NC1(C(=O)NCCCc2ccccc2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
SIGMAR1 Q99720 3/20 0.48
CTSB P07858 2/20 0.47
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
MMP8 P22894 3/20 0.45
EPHX2 P34913 2/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSK P43235 1/20 0.43
EPHX1 P07099 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
SCHEMBL1403874 0.98 CTSB (0.50) POLBSIGMAR1CTSBCTSSCTSL
SCHEMBL4400570 0.82 CTSB (0.56) POLBCTSBCTSSCTSLCYP2C9
SCHEMBL3662863 0.82 SMN1; SMN2 (0.50) KMT2ACTSK
SCHEMBL4583683 0.80 POLB (0.65) POLBSIGMAR1MMP8EPHX2CYP2D6
SCHEMBL10707874 0.80 CTSS (0.43) CTSBCTSSCTSLCTSK
SCHEMBL12333754 0.78 SIGMAR1 (0.58) POLBSIGMAR1MMP8CYP2D6CYP2C9
SCHEMBL25384603 0.77 FAAH (0.62) POLB
SCHEMBL1143391 0.76 CTSL (0.51) CTSBCTSSCTSLKMT2AL3MBTL1
SCHEMBL4961185 0.76 SIGMAR1 (0.62) POLBSIGMAR1MMP8KMT2A
SCHEMBL14598324 0.75 MAPT (0.52) CTSBCTSSCTSL

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-4767744-A Substituted tyrosyl methionyl dipeptide amides G. D. SEARLE & CO. (US) 1988-08-30 US disclosed