SCHEMBL8895941

SCHEMBL8895941

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSB P07858 5/20 0.56
CTSL P07711 2/20 0.56
CTSS P25774 2/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
CASP3 P42574 2/20 0.50
CTSK P43235 7/20 0.49
HSP90AA1 P07900 2/20 0.48
HSP90AB1 P08238 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL8898663 0.88 HSP90AA1 (0.54) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL8898176 0.86 MEN1 (0.49) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL8895307 0.86 CTSK (0.57) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL8896567 0.86 CTSK (0.57) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL8895811 0.84 CTSL (0.46) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL8614503 0.80 FOLH1 (0.50) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL15926429 0.79 CTSB (0.65) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL14148468 0.79 CTSB (0.65) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL25571941 0.78 MEN1 (0.65) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL8897466 0.78 CTSK (0.54) CTSBCTSLCTSSMEN1KMT2A

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