SCHEMBL8438630

SCHEMBL8438630

CC(=O)OCC(NC(=O)OCc1ccccc1)C(C)Cc1noc(C=Cc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
CTSL P07711 1/20 0.40
CTSK P43235 1/20 0.40
ATM Q13315 1/20 0.36
PPARG P37231 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TPSAB1 Q15661 1/20 0.36
MGLL Q99685 1/20 0.35
ALOX5 P09917 1/20 0.35
ZAP70 P43403 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL8433808 0.92 ATM (0.41) CTSLATMALOX5TRPM8
SCHEMBL8434221 0.91 NOS3 (0.43) NOS3NOS1NOS2CTSLCTSK
SCHEMBL8434685 0.91 NOS3 (0.40) NOS3NOS1NOS2CTSLCTSK
SCHEMBL8437791 0.89 ATM (0.40) CTSLCTSKATMPRSS1PRSS2
SCHEMBL8436495 0.84 HDAC6 (0.42) CTSLCTSKATMTRPM8
SCHEMBL8438342 0.83 ATM (0.43) ATMALOX5TRPM8
SCHEMBL8434772 0.81 PRSS1 (0.46) CTSLCTSKATMPRSS1PRSS2
SCHEMBL8434656 0.80 ATM (0.42) CTSLCTSKATMPRSS1PRSS2
SCHEMBL8433075 0.80 ATM (0.45) CTSLCTSKATMTRPM8
SCHEMBL8437488 0.79 ATM (0.45) ATMTRPM8

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