SCHEMBL9556578

SCHEMBL9556578

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.49
▸ CTSS P25774 2/20 0.49
▸ REN P00797 3/20 0.43
▸ CTSL P07711 2/20 0.41
▸ CTSB P07858 2/20 0.41
▸ KMT2A Q03164 1/20 0.38
▸ AAK1 Q2M2I8 2/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ CTSH P09668 1/20 0.37

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
SCHEMBL7264538 1.00 CTSK (0.49) CTSKCTSSRENCTSLCTSB
SCHEMBL7264536 1.00 CTSK (0.49) CTSKCTSSRENCTSLCTSB
SCHEMBL7264884 0.88 CTSK (0.47) CTSKCTSSRENCTSLCTSB
SCHEMBL9417311 0.88 CTSK (0.47) CTSKCTSSRENCTSLCTSB
SCHEMBL7331001 0.88 CTSK (0.51) CTSKCTSSRENCTSLCTSB
SCHEMBL8021180 0.88 CTSK (0.51) CTSKCTSSRENCTSLCTSB
SCHEMBL7384237 0.88 CTSK (0.51) CTSKCTSSRENCTSLCTSB
SCHEMBL7264560 0.87 CTSK (0.53) CTSKCTSSRENCTSLCTSB
SCHEMBL7264559 0.87 CTSK (0.53) CTSKCTSSRENCTSLCTSB
SCHEMBL10656988 0.85 CTSK (0.52) CTSKCTSSRENCTSLCTSB

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-5268361-A Containing amide groups SRI INTERNATIONAL (US) 1993-12-07 — — US disclosed
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