SCHEMBL8433178

SCHEMBL8433178

CC(=O)OCC(NC(=O)OCc1ccccc1)C(C)Cc1noc(Cc2ccsc2)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.42
PRSS2 P07478 9/20 0.42
PRSS3 P35030 9/20 0.42
TPSAB1 Q15661 9/20 0.42
ATM Q13315 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.36
CTRB1 P17538 2/20 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
SCHEMBL8433744 0.92 PRSS1 (0.49) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434693 0.91 PRSS1 (0.43) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8436757 0.86 PRSS1 (0.54) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433890 0.85 ATM (0.43) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434774 0.85 PRSS1 (0.47) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433320 0.84 PRSS1 (0.42) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8435692 0.84 ATM (0.41) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8435266 0.84 PRSS1 (0.41) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434772 0.83 PRSS1 (0.46) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433075 0.82 ATM (0.45) ATMTRPM8CTRB1

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