SCHEMBL6285910

SCHEMBL6285910

CC(C)CC(NC(=O)c1cc2ccccc2o1)C(=O)NC1CCC(C)N(C(=O)OCc2ccccc2)C[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.54
TAS1R3 Q7RTX0 2/20 0.51
TAS1R1 Q7RTX1 2/20 0.51
CTSL P07711 13/20 0.49
CTSS P25774 9/20 0.49
CTSB P07858 3/20 0.49
CTSV O60911 2/20 0.49
UTS2R Q9UKP6 2/20 0.47

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
SCHEMBL6271432 1.00 CTSK (0.54) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL6285900 1.00 CTSK (0.54) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL6271426 1.00 CTSK (0.54) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL6271433 1.00 CTSK (0.54) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4320431 0.90 CTSK (0.56) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4320412 0.90 CTSK (0.56) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4314731 0.87 TAS1R3 (0.61) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4318551 0.87 TAS1R3 (0.61) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL5092508 0.87 CTSK (0.60) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL5092490 0.87 CTSK (0.60) CTSKTAS1R3TAS1R1CTSLCTSS

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-2005013909-A2 NOVEL CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-17 WO disclosed