SCHEMBL8433200

SCHEMBL8433200

CC(C)[C@H](NC(=O)OCc1ccccc1)C(O)c1noc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
TACR1 P25103 1/20 0.47
CTSK P43235 2/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
TPSAB1 Q15661 1/20 0.44
ELANE P08246 1/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL8435712 0.87 ATM (0.44) ATMCTSKPRSS1PRSS2PRSS3
SCHEMBL8432904 0.87 ATM (0.44) ATMTACR1CTSKPRSS1PRSS2
SCHEMBL8436580 0.87 ATM (0.50) ATMCTSKPRSS1PRSS2PRSS3
SCHEMBL8435655 0.85 ATM (0.51) ATMCTSKPRSS1PRSS2PRSS3
SCHEMBL8434716 0.85 PRSS1 (0.56) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL1609973 0.84 TACR1 (0.48) ATMTACR1CTSKPRSS1PRSS2
SCHEMBL8434781 0.83 HDAC1 (0.48) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8433712 0.82 PRSS1 (0.46) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8438345 0.82 ATM (0.45) ATMCTSKPRSS1PRSS2PRSS3
SCHEMBL8437670 0.82 ATM (0.45) ATMCTSKPRSS1PRSS2PRSS3

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