SCHEMBL8433890

SCHEMBL8433890

CC(=O)OCC(NC(=O)OCc1ccccc1)C(C)Cc1noc(CCc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
TPSAB1 Q15661 3/20 0.40
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
CTRB1 P17538 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSL P07711 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
SCHEMBL8435692 0.95 ATM (0.41) ATMTRPM8PRSS1PRSS2PRSS3
SCHEMBL8433744 0.92 PRSS1 (0.49) ATMTRPM8PRSS1PRSS2PRSS3
SCHEMBL8435708 0.90 ATM (0.45) ATMTRPM8PRSS1PRSS2PRSS3
SCHEMBL8433075 0.88 ATM (0.45) ATMTRPM8ALDH1A1ALOX15CTRB1
SCHEMBL8436757 0.86 PRSS1 (0.54) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8433320 0.86 PRSS1 (0.42) ATMTRPM8PRSS1PRSS2PRSS3
SCHEMBL8432908 0.86 TACR1 (0.46) ATMTRPM8ALDH1A1ALOX15CTSL
SCHEMBL8435266 0.85 PRSS1 (0.41) ATMTRPM8PRSS1PRSS2PRSS3
SCHEMBL8433178 0.85 PRSS1 (0.42) ATMTRPM8PRSS1PRSS2PRSS3
SCHEMBL8437488 0.85 ATM (0.45) ATMTRPM8ALDH1A1ALOX15CTRB1

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