SCHEMBL8434656

SCHEMBL8434656

COc1ccc(C=Cc2nc(CC(C)C(CO)NC(=O)OCc3ccccc3)no2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.42
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
TPSAB1 Q15661 2/20 0.41
ALOX5 P09917 2/20 0.41
F2 P00734 1/20 0.41
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
CTSD P07339 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
SCHEMBL8438342 0.93 ATM (0.43) ATMALOX5TRPM8
SCHEMBL8437791 0.91 ATM (0.40) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8434221 0.89 NOS3 (0.43) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8437487 0.84 PRSS1 (0.56) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8433808 0.84 ATM (0.41) ATMALOX5CTSLTRPM8ALDH1A1
SCHEMBL8436584 0.80 ATM (0.47) ATMCTSLCTSSCTSKTRPM8
SCHEMBL8438630 0.80 NOS3 (0.41) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8433408 0.79 PRSS1 (0.49) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8434660 0.79 PRSS1 (0.44) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8434653 0.79 PRSS1 (0.44) 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