SCHEMBL7761881

SCHEMBL7761881

C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.62
CTSS P25774 4/20 0.56
CTSL P07711 3/20 0.56
CTSB P07858 2/20 0.56
CYP1A2 P05177 1/20 0.56
ATM Q13315 1/20 0.56
TPSAB1 Q15661 2/20 0.54
PLG P00747 1/20 0.54
PRSS1 P07477 1/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
LGMN Q99538 1/20 0.53

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
SCHEMBL15080869 0.94 CTSK (0.61) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL30946598 0.94 CTSK (0.61) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL10611126 0.93 CTSK (0.56) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL19036901 0.93 CTSK (0.60) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL12022502 0.93 CTSK (0.60) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL27899929 0.93 CTSK (0.60) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL10954146 0.91 CTSK (0.62) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL22475275 0.91 CTSK (0.62) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL3358693 0.91 CTSK (0.62) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL8177898 0.91 CTSK (0.62) CTSKCTSSCTSLCTSBCYP1A2

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-2001070937-A1 A NEW THERMOSTABLE D-STEREOSPECIFIC DIPEPTIDASE FROM BREVIBACILLUS BOSTELENSIS BCS-1 AND ITS USE AS A BIOCATALYST FOR THE SYNTHESIS OF PEPTIDES CONTAINING D-AMINO ACIDS KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2001-09-27 WO disclosed