SCHEMBL11567622

SCHEMBL11567622

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.55
CTSB P07858 6/20 0.55
CTSD P07339 2/20 0.47
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.46
S1PR4 O95977 1/20 0.45
S1PR1 P21453 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
SCHEMBL11567621 1.00 CTSK (0.55) CTSKCTSBCTSDCTSSCTSL
Hydrochloric Acid SCHEMBL11568559 0.99 CTSK (0.54) CTSKCTSBCTSDCTSSCTSL
Hydrochloric Acid SCHEMBL11568557 0.99 CTSK (0.54) CTSKCTSBCTSDCTSSCTSL
SCHEMBL11568394 0.92 MME (0.50) CTSKCTSBCTSD
SCHEMBL11568405 0.92 MME (0.50) CTSKCTSBCTSD
SCHEMBL11567448 0.88 CTSK (0.55) CTSKCTSBCTSSCTSL
SCHEMBL11568489 0.87 CTSD (0.45) CTSKCTSBCTSD
Hydrochloric Acid SCHEMBL11568347 0.84 CTSK (0.56) CTSKCTSBCTSSCTSLS1PR4
SCHEMBL11567669 0.83 CTSK (0.53) CTSKCTSB
SCHEMBL16483183 0.82 CTSK (0.56) CTSKCTSBCTSSCTSLS1PR4

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-4146614-A TREATMENT OF SCHIZOPHRENIA STATE OF MICHIGAN (US) 1979-03-27 US disclosed