SCHEMBL7429150

SCHEMBL7429150

CCCC(NC(=O)OC(C)(C)C)C(F)(F)C(O)C(N)CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.44
CTSS P25774 3/20 0.44
REN P00797 5/20 0.40
METAP2 P50579 4/20 0.39
METAP1 P53582 2/20 0.37
AAK1 Q2M2I8 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 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
SCHEMBL7424569 0.77 CTSL (0.46) CTSKCTSSRENCTSLCTSB
SCHEMBL7301464 0.77 METAP2 (0.40) CTSKCTSSRENMETAP2METAP1
SCHEMBL27709473 0.77 CTSK (0.48) CTSKCTSSRENMETAP2AAK1
SCHEMBL7327399 0.76 CTSK (0.48) CTSKCTSSRENMETAP2METAP1
SCHEMBL7264708 0.75 CTSK (0.54) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL8233824 0.75 CTSK (0.54) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL7294534 0.74 CTSL (0.47) CTSKCTSSRENMETAP2METAP1
SCHEMBL8242631 0.73 CTSS (0.52) CTSKCTSSRENMETAP2AAK1
SCHEMBL10346884 0.73 REN (0.39) CTSKCTSSRENMETAP2METAP1
SCHEMBL7337095 0.72 CTSK (0.47) CTSKCTSSRENMETAP2METAP1

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-0371179-A1 Novel analogs of peptidase substrates MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-06 EP disclosed
EP-0368719-A2 Novel analogs of peptidase substrates MERRELL PHARMACEUTICALS INC. (US) 1990-05-16 EP disclosed