SCHEMBL8087320

SCHEMBL8087320

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.49
CTSD P07339 3/20 0.48
LTA4H P09960 1/20 0.46
BACE1 P56817 1/20 0.45
ANPEP P15144 1/20 0.45
RNPEP Q9H4A4 1/20 0.45
DNPEP Q9ULA0 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45

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
SCHEMBL8260887 0.93 CTSB (0.65) CTSBLTA4HANPEPRNPEPDNPEP
SCHEMBL3487670 0.93 CTSB (0.65) CTSBLTA4HANPEPRNPEPDNPEP
SCHEMBL30371890 0.87 CTSB (0.58) CTSBLTA4H
SCHEMBL6248305 0.84 CTSB (0.55) CTSBSMN1; SMN2CTSD
SCHEMBL7361635 0.84 CTSB (0.59) CTSBSMN1; SMN2
SCHEMBL20204722 0.84 CTSB (0.62) CTSBSMN1; SMN2
SCHEMBL10790323 0.83 BACE1 (0.60) CTSDLTA4HBACE1
SCHEMBL23463561 0.83 CTSB (0.58) CTSBLTA4HANPEPRNPEPDNPEP
SCHEMBL7323888 0.82 FCER2 (0.58) CTSDBACE1
SCHEMBL29601744 0.81 BACE1 (0.60) CTSBCTSDBACE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1039925-A1 ALTERATION OF THE CELL CYCLE IN VIVO, AND PARTICULARLY FOR INDUCING APOPTOSIS OF TUMOR CELLS ALFACELL CORPORATION (US) 2000-10-04 EP claimed
WO-2000007619-A1 ALTERATION OF THE CELL CYCLE IN VIVO, AND PARTICULARLY FOR INDUCING APOPTOSIS OF TUMOR CELLS ALFACELL CORPORATION (US) 2000-02-17 WO claimed