SCHEMBL8433744

SCHEMBL8433744

CC(=O)OCC(NC(=O)OCc1ccccc1)C(C)Cc1noc(Cc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 14/20 0.49
PRSS2 P07478 14/20 0.49
PRSS3 P35030 14/20 0.49
TPSAB1 Q15661 14/20 0.49
ATM Q13315 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.41

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
SCHEMBL8436757 0.94 PRSS1 (0.54) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433890 0.92 ATM (0.43) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433178 0.92 PRSS1 (0.42) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434774 0.91 PRSS1 (0.47) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433320 0.90 PRSS1 (0.42) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8435692 0.90 ATM (0.41) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8435266 0.90 PRSS1 (0.41) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434719 0.89 PRSS1 (0.51) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434772 0.89 PRSS1 (0.46) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433075 0.89 ATM (0.45) ATMTRPM8

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
US-5874585-A TREATMENT AND/OR PREVENTION OF ELASTASE-MEDIATED PROBLEMS SUCH AS ARTHRITIS, PERIODONTAL DISEASE, GLOMERULONEPHRITIS, DERMATITIS, PSORIASIS, CYSTIC FIBROSIS, CHRONIC BRONCHITIS, ALZHEIMER'S DISEASE CORTECH, INC. (US) 1999-02-23 US disclosed