SCHEMBL8433408

SCHEMBL8433408

COc1cccc(Cc2nc(CC(C)C(CO)NC(=O)OCc3ccccc3)no2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.49
PRSS2 P07478 11/20 0.49
PRSS3 P35030 11/20 0.49
TPSAB1 Q15661 11/20 0.49
ATM Q13315 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39
CTSD P07339 1/20 0.39
BACE1 P56817 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
SCHEMBL8437487 0.91 PRSS1 (0.56) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434774 0.91 PRSS1 (0.47) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434719 0.90 PRSS1 (0.51) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8436310 0.87 PRSS1 (0.47) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434782 0.85 CA1 (0.42) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8437901 0.84 PRSS1 (0.44) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8435708 0.84 ATM (0.45) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434693 0.84 PRSS1 (0.43) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8436757 0.82 PRSS1 (0.54) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433716 0.82 ATM (0.43) 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