SCHEMBL8434784

SCHEMBL8434784

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.46
PRSS2 P07478 7/20 0.46
PRSS3 P35030 7/20 0.46
TPSAB1 Q15661 7/20 0.46
ATM Q13315 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ACHE P22303 2/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 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
SCHEMBL8435264 0.89 PRSS1 (0.43) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434716 0.89 PRSS1 (0.56) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8437485 0.86 PRSS1 (0.61) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433402 0.85 PRSS1 (0.52) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433513 0.83 PRSS1 (0.48) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433712 0.82 PRSS1 (0.46) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434690 0.82 PRSS1 (0.47) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8436580 0.80 ATM (0.50) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8436306 0.80 PRSS1 (0.51) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8435655 0.79 ATM (0.51) 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