SCHEMBL8438632

SCHEMBL8438632

CC(=O)OC(c1noc(C=Cc2ccc(C(F)(F)F)cc2)n1)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
TPSAB1 Q15661 2/20 0.39
CTSL P07711 1/20 0.39
CTSK P43235 1/20 0.39
ATM Q13315 1/20 0.37
ELANE P08246 2/20 0.36
MGLL Q99685 1/20 0.36
CTRC Q99895 1/20 0.36
PPARG P37231 1/20 0.35

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
SCHEMBL8438627 1.00 NOS3 (0.40) NOS3NOS1NOS2PRSS1PRSS2
SCHEMBL8434681 0.93 NOS3 (0.39) NOS3NOS1NOS2PRSS1PRSS2
SCHEMBL8434688 0.93 NOS3 (0.39) NOS3NOS1NOS2PRSS1PRSS2
SCHEMBL8433803 0.92 ATM (0.41) PRSS1PRSS2PRSS3TPSAB1CTSL
SCHEMBL8433814 0.92 ATM (0.41) PRSS1PRSS2PRSS3TPSAB1CTSL
SCHEMBL8434224 0.90 NOS3 (0.42) NOS3NOS1NOS2PRSS1PRSS2
SCHEMBL8434220 0.90 NOS3 (0.42) NOS3NOS1NOS2PRSS1PRSS2
SCHEMBL8437789 0.89 PRSS1 (0.42) PRSS1PRSS2PRSS3TPSAB1CTSL
SCHEMBL8437793 0.89 PRSS1 (0.42) PRSS1PRSS2PRSS3TPSAB1CTSL
SCHEMBL8436492 0.83 HDAC1 (0.45) PRSS1PRSS2PRSS3TPSAB1CTSL

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