SCHEMBL8435692

SCHEMBL8435692

CC(=O)OCC(NC(=O)OCc1ccccc1)C(C)Cc1noc(CCCc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
PRSS1 P07477 11/20 0.41
PRSS2 P07478 11/20 0.41
PRSS3 P35030 11/20 0.41
TPSAB1 Q15661 11/20 0.41
CTRB1 P17538 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CASP1 P29466 2/20 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
SCHEMBL8433890 0.95 ATM (0.43) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8433744 0.90 PRSS1 (0.49) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8433716 0.90 ATM (0.43) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8433075 0.86 ATM (0.45) ATMCTRB1TRPM8
SCHEMBL8433320 0.84 PRSS1 (0.42) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8436757 0.84 PRSS1 (0.54) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8432908 0.84 TACR1 (0.46) ATMTRPM8
SCHEMBL8435708 0.84 ATM (0.45) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8433178 0.84 PRSS1 (0.42) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8435266 0.84 PRSS1 (0.41) ATMPRSS1PRSS2PRSS3TPSAB1

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