SCHEMBL8896567

SCHEMBL8896567

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.57
CTSL P07711 4/20 0.57
CTSB P07858 4/20 0.57
CTSS P25774 4/20 0.57
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 2/20 0.46
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44

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
SCHEMBL8895307 1.00 CTSK (0.57) CTSKCTSLCTSBCTSSMEN1
SCHEMBL8897466 0.90 CTSK (0.54) CTSKCTSLCTSBCTSSMEN1
SCHEMBL8898663 0.87 HSP90AA1 (0.54) CTSKCTSLCTSBCTSSMEN1
SCHEMBL8895941 0.86 CTSB (0.56) CTSKCTSLCTSBCTSSMEN1
SCHEMBL8896176 0.85 CTSK (0.59) CTSKCTSLCTSBCTSS
SCHEMBL8614433 0.82 CTSK (0.48) CTSKCTSLCTSBCTSSMEN1
SCHEMBL8895811 0.81 CTSL (0.46) CTSKCTSLCTSBCTSSMEN1
SCHEMBL8613294 0.81 FOLH1 (0.49) CTSKCTSLCTSBCTSSMEN1
SCHEMBL8613767 0.81 FOLH1 (0.49) CTSKCTSLCTSBCTSSMEN1
SCHEMBL8898176 0.80 MEN1 (0.49) CTSKCTSLCTSBCTSSMEN1

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-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed