SCHEMBL8436310

SCHEMBL8436310

CC(Cc1noc(Cc2cccc(C(F)(F)F)c2)n1)C(CO)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.47
PRSS2 P07478 6/20 0.47
PRSS3 P35030 6/20 0.47
TPSAB1 Q15661 6/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
ZAP70 P43403 1/20 0.41
USP2 O75604 2/20 0.40
CYP3A4 P08684 2/20 0.40
NR1I2 O75469 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL8434772 0.91 PRSS1 (0.46) PRSS1PRSS2PRSS3TPSAB1KMT2A
SCHEMBL8434719 0.89 PRSS1 (0.51) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433408 0.87 PRSS1 (0.49) PRSS1PRSS2PRSS3TPSAB1RAB9A
SCHEMBL8437901 0.85 PRSS1 (0.44) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8435719 0.83 HDAC6 (0.44) ATMCTSLCTSK
SCHEMBL8437487 0.83 PRSS1 (0.56) PRSS1PRSS2PRSS3TPSAB1RAB9A
SCHEMBL8435708 0.82 ATM (0.45) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434693 0.82 PRSS1 (0.43) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433716 0.81 ATM (0.43) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434782 0.81 CA1 (0.42) 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