SCHEMBL8433402

SCHEMBL8433402

COc1cccc(Cc2nc(C(O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)no2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 14/20 0.52
PRSS2 P07478 14/20 0.52
PRSS3 P35030 14/20 0.52
TPSAB1 Q15661 14/20 0.52
ELANE P08246 1/20 0.42
ATM Q13315 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TACR3 P29371 1/20 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
SCHEMBL8437485 0.91 PRSS1 (0.61) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434716 0.90 PRSS1 (0.56) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434777 0.89 PRSS1 (0.49) PRSS1PRSS2PRSS3TPSAB1ELANE
SCHEMBL8436306 0.86 PRSS1 (0.51) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434784 0.85 PRSS1 (0.46) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433513 0.84 PRSS1 (0.48) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434690 0.83 PRSS1 (0.47) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433712 0.81 PRSS1 (0.46) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8436756 0.80 PRSS1 (0.57) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8436580 0.80 ATM (0.50) PRSS1PRSS2PRSS3TPSAB1ELANE

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