SCHEMBL8434685

SCHEMBL8434685

CCC(Cc1noc(C=Cc2ccc(C(F)(F)F)cc2)n1)C(COC(C)=O)NC(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
CTSL P07711 1/20 0.38
CTSK P43235 1/20 0.38
PPARG P37231 2/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TPSAB1 Q15661 1/20 0.35
MGLL Q99685 1/20 0.35
ALOX5 P09917 2/20 0.34
ATM Q13315 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL8438630 0.91 NOS3 (0.41) NOS3NOS1NOS2CTSLCTSK
SCHEMBL8434221 0.84 NOS3 (0.43) NOS3NOS1NOS2CTSLCTSK
SCHEMBL8433808 0.82 ATM (0.41) CTSLALOX5ATMTRPM8
SCHEMBL8437791 0.80 ATM (0.40) CTSLCTSKPRSS1PRSS2PRSS3
SCHEMBL8434688 0.76 NOS3 (0.39) NOS3NOS1NOS2CTSLCTSK
SCHEMBL8434681 0.76 NOS3 (0.39) NOS3NOS1NOS2CTSLCTSK
SCHEMBL8438632 0.75 NOS3 (0.40) NOS3NOS1NOS2CTSLCTSK
SCHEMBL8438627 0.75 NOS3 (0.40) NOS3NOS1NOS2CTSLCTSK
SCHEMBL8438342 0.75 ATM (0.43) ALOX5ATMTRPM8
SCHEMBL8434224 0.75 NOS3 (0.42) NOS3NOS1NOS2CTSLCTSK

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