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SCHEMBL7260203

SCHEMBL7260203

CCCN(C(=O)C(CC1(C)CCCC1)NC(=O)OCc1ccccc1)C(O)c1nc2ccccc2o1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.39
▸ CTSK P43235 3/20 0.39
▸ CTSL P07711 2/20 0.38
▸ CTSB P07858 2/20 0.38
▸ CTSS P25774 2/20 0.38
▸ ITGB3 P05106 2/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ PRSS8 Q16651 1/20 0.37
▸ ITGA2B P08514 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL5946038 0.84 ATM (0.40) ATMCTSKCTSLCTSBITGB3
SCHEMBL5460207 0.84 ATM (0.40) ATMCTSKCTSLCTSBITGB3
SCHEMBL5460212 0.84 ATM (0.40) ATMCTSKCTSLCTSBITGB3
SCHEMBL5460216 0.84 ATM (0.40) ATMCTSKCTSLCTSBITGB3
SCHEMBL7260210 0.83 ATM (0.35) ATMCTSKCTSLCTSBCTSS
SCHEMBL5703665 0.83 ATM (0.35) ATMCTSKCTSLCTSBCTSS
SCHEMBL7260207 0.81 PTGER4 (0.43) CTSKCTSLCTSBCTSSITGB3
SCHEMBL5704088 0.80 PPARG (0.33) CTSK
SCHEMBL2398018 0.74 KYNU (0.57) CTSKCTSLCTSBCTSSCYP3A4
SCHEMBL2396183 0.74 KYNU (0.57) CTSKCTSLCTSBCTSSCYP3A4

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
WO-2004000838-A1 PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-12-31 — — WO disclosed