SCHEMBL8435708

SCHEMBL8435708

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.42
PRSS1 P07477 5/20 0.42
PRSS2 P07478 5/20 0.42
PRSS3 P35030 5/20 0.42
TPSAB1 Q15661 5/20 0.42
CTRB1 P17538 2/20 0.40
CTSK P43235 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
ELANE P08246 1/20 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
SCHEMBL8433716 0.94 ATM (0.43) ATMTRPM8PRSS1PRSS2PRSS3
SCHEMBL8434719 0.91 PRSS1 (0.51) ATMTRPM8PRSS1PRSS2PRSS3
SCHEMBL8433890 0.90 ATM (0.43) ATMTRPM8PRSS1PRSS2PRSS3
SCHEMBL8436584 0.87 ATM (0.47) ATMTRPM8CTRB1CTSKCTSL
SCHEMBL8437487 0.85 PRSS1 (0.56) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8437901 0.85 PRSS1 (0.44) ATMTRPM8PRSS1PRSS2PRSS3
SCHEMBL8433202 0.85 TACR1 (0.48) ATMTRPM8CTRB1CTSKCTSL
SCHEMBL8434782 0.85 CA1 (0.42) ATMTRPM8PRSS1PRSS2PRSS3
SCHEMBL8434693 0.85 PRSS1 (0.43) ATMTRPM8PRSS1PRSS2PRSS3
SCHEMBL8435658 0.84 ATM (0.47) ATMTRPM8CTRB1CTSK

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