SCHEMBL8433808

SCHEMBL8433808

CC(=O)OCC(NC(=O)OCc1ccccc1)C(C)Cc1noc(C=Cc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
ALOX5 P09917 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8437791 0.94 ATM (0.40) ATMALOX5TRPM8CTSLALDH1A1
SCHEMBL8438630 0.92 NOS3 (0.41) ATMALOX5TRPM8CTSL
SCHEMBL8438342 0.90 ATM (0.43) ATMALOX5TRPM8
SCHEMBL8433075 0.85 ATM (0.45) ATMTRPM8CTSLCTSBALDH1A1
SCHEMBL8434656 0.84 ATM (0.42) ATMALOX5TRPM8CTSLALDH1A1
SCHEMBL8433744 0.84 PRSS1 (0.49) ATMTRPM8
SCHEMBL8432908 0.84 TACR1 (0.46) ATMTRPM8CTSLCTSBALDH1A1
SCHEMBL8437488 0.83 ATM (0.45) ATMTRPM8ALDH1A1ALOX15MEN1
SCHEMBL8433890 0.83 ATM (0.43) ATMTRPM8CTSLALDH1A1ALOX15
SCHEMBL8434685 0.82 NOS3 (0.40) ATMALOX5TRPM8CTSL

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