SCHEMBL8433893

SCHEMBL8433893

CCc1ccccc1-c1nc(C(OC(C)=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)no1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
ELANE P08246 1/20 0.37
CYP1A2 P05177 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TPSAB1 Q15661 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PRTN3 P24158 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 0.88 ATM (0.44) ATMCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8432904 0.88 ATM (0.44) ATMELANECYP1A2PRSS1PRSS2
SCHEMBL8433073 0.84 ATM (0.46) ATMELANECYP1A2PRSS1PRSS2
SCHEMBL8437486 0.83 ATM (0.47) ATMELANECYP1A2PRSS1PRSS2
SCHEMBL8433741 0.83 PRSS1 (0.52) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8436492 0.81 HDAC1 (0.45) ATMELANECYP1A2PRSS1PRSS2
SCHEMBL8435688 0.80 PRSS1 (0.43) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8435264 0.80 PRSS1 (0.43) ATMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL8433814 0.80 ATM (0.41) ATMELANECYP1A2PRSS1PRSS2
SCHEMBL8433803 0.80 ATM (0.41) ATMELANECYP1A2PRSS1PRSS2

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