SCHEMBL7335815

SCHEMBL7335815

CC(C)CC(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.57
▸ CTSS P25774 2/20 0.56
▸ CTSL P07711 2/20 0.56
▸ IL1RN P18510 1/20 0.54
▸ ERAP2 Q6P179 1/20 0.54
▸ ERAP1 Q9NZ08 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ BCL2 P10415 1/20 0.53
▸ KLKB1 P03952 1/20 0.52
▸ REN P00797 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ ACE P12821 1/20 0.49
▸ PTPN1 P18031 1/20 0.49

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
SCHEMBL7335812 1.00 CTSK (0.57) CTSKCTSSCTSLIL1RNERAP2
SCHEMBL7345719 0.95 CTSK (0.58) CTSKCTSSCTSLIL1RNERAP2
SCHEMBL7339988 0.95 CTSK (0.58) CTSKCTSSCTSLIL1RNERAP2
SCHEMBL7341802 0.94 CTSK (0.62) CTSKCTSSCTSLIL1RNERAP2
SCHEMBL7338752 0.94 GAA (0.61) CTSKCTSSCTSLIL1RNERAP2
SCHEMBL7339972 0.94 CTSS (0.57) CTSKCTSSCTSLIL1RNERAP2
SCHEMBL7341796 0.94 CTSK (0.62) CTSKCTSSCTSLIL1RNERAP2
SCHEMBL7338757 0.94 GAA (0.61) CTSKCTSSCTSLIL1RNERAP2
SCHEMBL7339964 0.94 CTSS (0.57) CTSKCTSSCTSLIL1RNERAP2
SCHEMBL7344529 0.93 CTSS (0.56) CTSKCTSSCTSLIL1RNERAP2

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
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 — — US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 — — US disclosed
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