SCHEMBL8434774

SCHEMBL8434774

COc1cccc(Cc2nc(CC(C)C(COC(C)=O)NC(=O)OCc3ccccc3)no2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 12/20 0.47
PRSS2 P07478 12/20 0.47
PRSS3 P35030 12/20 0.47
TPSAB1 Q15661 12/20 0.47
ATM Q13315 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37

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 0.92 PRSS1 (0.54) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433408 0.91 PRSS1 (0.49) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433744 0.91 PRSS1 (0.49) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434772 0.87 PRSS1 (0.46) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8435266 0.86 PRSS1 (0.41) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433320 0.85 PRSS1 (0.42) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433890 0.85 ATM (0.43) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433178 0.85 PRSS1 (0.42) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8435692 0.83 ATM (0.41) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8437487 0.82 PRSS1 (0.56) PRSS1PRSS2PRSS3TPSAB1ATM

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