SCHEMBL8434688

SCHEMBL8434688

CCC(C)[C@H](NC(=O)OCc1ccccc1)C(OC(C)=O)c1noc(C=Cc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
CTSL P07711 3/20 0.38
CTSK P43235 2/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TPSAB1 Q15661 1/20 0.36
ATM Q13315 1/20 0.35
MGLL Q99685 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL8434681 1.00 NOS3 (0.39) NOS3NOS1NOS2CTSLCTSK
SCHEMBL8438632 0.93 NOS3 (0.40) NOS3NOS1NOS2CTSLCTSK
SCHEMBL8438627 0.93 NOS3 (0.40) NOS3NOS1NOS2CTSLCTSK
SCHEMBL8433814 0.85 ATM (0.41) CTSLCTSKCTSBCTSSPRSS1
SCHEMBL8433803 0.85 ATM (0.41) CTSLCTSKCTSBCTSSPRSS1
SCHEMBL8434224 0.84 NOS3 (0.42) NOS3NOS1NOS2CTSLCTSK
SCHEMBL8434220 0.84 NOS3 (0.42) NOS3NOS1NOS2CTSLCTSK
SCHEMBL8437793 0.82 PRSS1 (0.42) CTSLCTSKMEN1KMT2ACTSS
SCHEMBL8437789 0.82 PRSS1 (0.42) CTSLCTSKMEN1KMT2ACTSS
SCHEMBL8438630 0.77 NOS3 (0.41) NOS3NOS1NOS2CTSLCTSK

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