SCHEMBL8435266

SCHEMBL8435266

COc1ccccc1Cc1nc(CC(C)C(COC(C)=O)NC(=O)OCc2ccccc2)no1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.41
PRSS2 P07478 4/20 0.41
PRSS3 P35030 4/20 0.41
TPSAB1 Q15661 4/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 4/20 0.39
MAPK1 P28482 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ACHE P22303 2/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 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
SCHEMBL8434782 0.91 CA1 (0.42) PRSS1PRSS2PRSS3TPSAB1TRPM8
SCHEMBL8433744 0.90 PRSS1 (0.49) PRSS1PRSS2PRSS3TPSAB1TRPM8
SCHEMBL8436757 0.88 PRSS1 (0.54) PRSS1PRSS2PRSS3TPSAB1TDP1
SCHEMBL8434774 0.86 PRSS1 (0.47) PRSS1PRSS2PRSS3TPSAB1TRPM8
SCHEMBL8433890 0.85 ATM (0.43) PRSS1PRSS2PRSS3TPSAB1TRPM8
SCHEMBL8433320 0.84 PRSS1 (0.42) PRSS1PRSS2PRSS3TPSAB1TRPM8
SCHEMBL8435692 0.84 ATM (0.41) PRSS1PRSS2PRSS3TPSAB1TRPM8
SCHEMBL8433178 0.84 PRSS1 (0.42) PRSS1PRSS2PRSS3TPSAB1TRPM8
SCHEMBL8433075 0.82 ATM (0.45) TRPM8LMNAATMALDH1A1ALOX15
SCHEMBL8434772 0.82 PRSS1 (0.46) 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