SCHEMBL8437486

SCHEMBL8437486

CC(=O)OC(c1noc(C(F)F)n1)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
ELANE P08246 2/20 0.40
CYP1A2 P05177 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TPSAB1 Q15661 1/20 0.39
CTSK P43235 3/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
PRTN3 P24158 1/20 0.38

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
SCHEMBL8433073 0.88 ATM (0.46) ATMELANECYP1A2PRSS1PRSS2
SCHEMBL8435655 0.87 ATM (0.51) ATMELANECYP1A2PRSS1PRSS2
SCHEMBL8436492 0.87 HDAC1 (0.45) ATMELANECYP1A2PRSS1PRSS2
SCHEMBL8433741 0.86 PRSS1 (0.52) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8432904 0.86 ATM (0.44) ATMELANECYP1A2PRSS1PRSS2
SCHEMBL8435688 0.84 PRSS1 (0.43) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8433814 0.83 ATM (0.41) ATMELANECYP1A2PRSS1PRSS2
SCHEMBL8433803 0.83 ATM (0.41) ATMELANECYP1A2PRSS1PRSS2
SCHEMBL8433316 0.83 PRSS1 (0.45) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8433893 0.83 ATM (0.41) ATMELANECYP1A2PRSS1PRSS2

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