SCHEMBL8434653

SCHEMBL8434653

COc1ccc(/C=C/c2nc(C(O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)no2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
TPSAB1 Q15661 2/20 0.44
ATM Q13315 2/20 0.44
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
CTSL P07711 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CTSD P07339 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ELANE P08246 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL8434660 1.00 PRSS1 (0.44) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8437670 0.93 ATM (0.45) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8438345 0.93 ATM (0.45) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8437789 0.89 PRSS1 (0.42) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8437793 0.89 PRSS1 (0.42) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434220 0.88 NOS3 (0.42) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434224 0.88 NOS3 (0.42) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8437485 0.83 PRSS1 (0.61) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433814 0.81 ATM (0.41) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433803 0.81 ATM (0.41) PRSS1PRSS2PRSS3TPSAB1ATM

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