SCHEMBL8435655

SCHEMBL8435655

CC(C)[C@H](NC(=O)OCc1ccccc1)C(O)c1noc(C(F)F)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
ELANE P08246 2/20 0.43
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43
CYP1A2 P05177 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TPSAB1 Q15661 1/20 0.42
CTSK P43235 3/20 0.42
CTSB P07858 1/20 0.42
PRTN3 P24158 1/20 0.41

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
SCHEMBL8437486 0.87 ATM (0.47) ATMELANECTSLCTSSCYP1A2
SCHEMBL8436580 0.87 ATM (0.50) ATMELANECTSLCTSSCYP1A2
SCHEMBL8434781 0.85 HDAC1 (0.48) ATMELANECTSLCTSSCYP1A2
SCHEMBL8434716 0.85 PRSS1 (0.56) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8433200 0.85 ATM (0.48) ATMELANECTSLCTSSCYP1A2
SCHEMBL8433712 0.82 PRSS1 (0.46) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8438345 0.82 ATM (0.45) ATMELANECTSLCTSSCYP1A2
SCHEMBL8437670 0.82 ATM (0.45) ATMELANECTSLCTSSCYP1A2
SCHEMBL8433513 0.81 PRSS1 (0.48) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8435712 0.81 ATM (0.44) ATMELANECTSLCTSSCYP1A2

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