SCHEMBL7341796

SCHEMBL7341796

COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.62
▸ CTSS P25774 4/20 0.62
▸ ERAP2 Q6P179 2/20 0.55
▸ IL1RN P18510 1/20 0.55
▸ ERAP1 Q9NZ08 1/20 0.55
▸ CTSL P07711 4/20 0.55
▸ GAA P10253 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ REN P00797 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ PTPN1 P18031 1/20 0.52
▸ MMP1 P03956 1/20 0.51
▸ LNPEP Q9UIQ6 1/20 0.49
▸ ACE P12821 1/20 0.48

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
SCHEMBL7341802 1.00 CTSK (0.62) CTSKCTSSERAP2IL1RNERAP1
SCHEMBL7345719 0.95 CTSK (0.58) CTSKCTSSERAP2IL1RNERAP1
SCHEMBL7339988 0.95 CTSK (0.58) CTSKCTSSERAP2IL1RNERAP1
SCHEMBL7335812 0.94 CTSK (0.57) CTSKCTSSERAP2IL1RNERAP1
SCHEMBL7335815 0.94 CTSK (0.57) CTSKCTSSERAP2IL1RNERAP1
SCHEMBL7339972 0.93 CTSS (0.57) CTSKCTSSERAP2IL1RNERAP1
SCHEMBL7338757 0.93 GAA (0.61) CTSKCTSSERAP2IL1RNERAP1
SCHEMBL7339964 0.93 CTSS (0.57) CTSKCTSSERAP2IL1RNERAP1
SCHEMBL7338752 0.93 GAA (0.61) CTSKCTSSERAP2IL1RNERAP1
SCHEMBL7344529 0.92 CTSS (0.56) CTSKCTSSERAP2IL1RNERAP1

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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