SCHEMBL8895955

SCHEMBL8895955

CC[C@H](C)[C@H](NC(=O)O[C@](Cc1ccccc1)(CC(C)C)C(=O)O)C(=O)NC(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 1/20 0.45
ANPEP P15144 1/20 0.43
CTSD P07339 4/20 0.42
REN P00797 1/20 0.42
CASP3 P42574 2/20 0.42
CA2 P00918 2/20 0.41
CTSK P43235 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL8898180 0.86 SMN1; SMN2 (0.43) CTSSCTSLCTSBKMT2AMEN1
SCHEMBL8896841 0.73 ALDH1A1 (0.40) CTSSKMT2AMEN1SMN1; SMN2
SCHEMBL8549086 0.71 CTSS (0.64) CTSSCTSLCTSBKMT2AMEN1
SCHEMBL8549092 0.71 CTSS (0.64) CTSSCTSLCTSBKMT2AMEN1
SCHEMBL8961019 0.71 ACE (0.60) CTSSCTSLCTSBKMT2AMEN1
SCHEMBL8961015 0.71 ACE (0.60) CTSSCTSLCTSBKMT2AMEN1
SCHEMBL8895941 0.71 CTSB (0.56) CTSSCTSLCTSBKMT2AMEN1
SCHEMBL9006092 0.70 CA2 (0.74) CTSSCTSLCTSBKMT2AMEN1
SCHEMBL9006099 0.70 CA2 (0.74) CTSSCTSLCTSBKMT2AMEN1
SCHEMBL9754245 0.70 CTSD (0.62) CTSSCTSLCTSBKMT2AMEN1

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