SCHEMBL8435264

SCHEMBL8435264

COc1ccccc1Cc1nc(C(OC(C)=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)no1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.43
PRSS2 P07478 8/20 0.43
PRSS3 P35030 8/20 0.43
TPSAB1 Q15661 8/20 0.43
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ACHE P22303 2/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8433741 0.90 PRSS1 (0.52) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434784 0.89 PRSS1 (0.46) PRSS1PRSS2PRSS3TPSAB1CA1
SCHEMBL8436756 0.87 PRSS1 (0.57) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434777 0.86 PRSS1 (0.49) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433316 0.84 PRSS1 (0.45) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8435688 0.84 PRSS1 (0.43) PRSS1PRSS2PRSS3TPSAB1CA2
SCHEMBL8433174 0.83 PRSS1 (0.44) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433073 0.82 ATM (0.46) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434771 0.81 PRSS1 (0.49) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8437486 0.81 ATM (0.47) 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