SCHEMBL7339988

SCHEMBL7339988

CC(C)CC(NC(=O)c1ccccc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.58
▸ IL1RN P18510 1/20 0.56
▸ ERAP2 Q6P179 1/20 0.56
▸ ERAP1 Q9NZ08 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ CTSL P07711 3/20 0.56
▸ CTSS P25774 2/20 0.56
▸ REN P00797 1/20 0.54
▸ ACE P12821 1/20 0.53
▸ GAA P10253 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ PSMB5 P28074 2/20 0.51
▸ PPARG P37231 1/20 0.51
▸ PTPN1 P18031 1/20 0.51

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
SCHEMBL7345719 1.00 CTSK (0.58) CTSKIL1RNERAP2ERAP1POLB
SCHEMBL7335815 0.95 CTSK (0.57) CTSKIL1RNERAP2ERAP1POLB
SCHEMBL7335812 0.95 CTSK (0.57) CTSKIL1RNERAP2ERAP1POLB
SCHEMBL7341796 0.95 CTSK (0.62) CTSKIL1RNERAP2ERAP1POLB
SCHEMBL7341802 0.95 CTSK (0.62) CTSKIL1RNERAP2ERAP1POLB
SCHEMBL7339972 0.95 CTSS (0.57) CTSKIL1RNERAP2ERAP1POLB
SCHEMBL7338752 0.95 GAA (0.61) CTSKIL1RNERAP2ERAP1POLB
SCHEMBL7339964 0.95 CTSS (0.57) CTSKIL1RNERAP2ERAP1POLB
SCHEMBL7338757 0.95 GAA (0.61) CTSKIL1RNERAP2ERAP1POLB
SCHEMBL7344529 0.94 CTSS (0.56) CTSKIL1RNERAP2ERAP1POLB

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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