SCHEMBL7375550

SCHEMBL7375550

CC(C)(C)OC(=O)N[C@@H](CCC1CCCCC1)[C@H]1CO1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.46
CTSS P25774 2/20 0.46
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
EPHX1 P07099 2/20 0.39
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.37
CACNA1B Q00975 2/20 0.37
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
BTK Q06187 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34

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
SCHEMBL28848451 0.88 CTSK (0.53) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL7332961 0.88 CTSK (0.53) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL1867025 0.88 CTSK (0.53) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL4974388 0.88 CTSK (0.53) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL7375658 0.88 CTSK (0.53) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL28848424 0.86 CTSK (0.51) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL28848423 0.86 CTSK (0.51) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL3327360 0.82 CA1 (0.40) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL29127638 0.81 CTSK (0.50) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL28848464 0.81 CTSK (0.50) CTSKCTSSHDAC4HDAC1HDAC6

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
EP-0310015-A2 Renin-inhibiting dipeptides, process for their preparation, medicines containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-05 EP disclosed