SCHEMBL7300364

SCHEMBL7300364

C=C[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.49
▸ CTSS P25774 3/20 0.49
▸ CTSL P07711 3/20 0.42
▸ CTSB P07858 2/20 0.42
▸ PSMB5 P28074 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ REN P00797 4/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ CTSD P07339 1/20 0.37
▸ CTSE P14091 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36

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
SCHEMBL6447508 0.88 CTSK (0.54) CTSKCTSSCTSLCTSBPSMB5
SCHEMBL6447502 0.88 CTSK (0.54) CTSKCTSSCTSLCTSBPSMB5
SCHEMBL24049431 0.78 PSMB5 (0.53) CTSKCTSSCTSLCTSBPSMB5
SCHEMBL7264560 0.77 CTSK (0.53) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL7264559 0.77 CTSK (0.53) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL8365044 0.76 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL1861195 0.76 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL1861194 0.76 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL7292249 0.75 LTA4H (0.38) CTSKCTSLCTSBPSMB5REN
SCHEMBL14996241 0.75 CA1 (0.56) CTSKCTSSCTSLCTSBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5605926-A PROPHYLAXIS BAYER AKTIENGESELLSCHAFT (DE) 1997-02-25 — — US disclosed
US-5430151-A Treatment of aids, pneumonia, caprine arthritis encephalitis, leukemia and immmunodeficiency BAYER AKTIENGESELLSCHAFT (DE) 1995-07-04 — — US disclosed
EP-0528242-A2 Trifluoromethyl containing pseudopeptides BAYER AG (DE) 1993-02-24 — — EP disclosed
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