SCHEMBL8436306

SCHEMBL8436306

CC(C)[C@H](NC(=O)OCc1ccccc1)C(O)c1noc(Cc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.51
PRSS2 P07478 10/20 0.51
PRSS3 P35030 10/20 0.51
TPSAB1 Q15661 10/20 0.51
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.42
ZAP70 P43403 1/20 0.40
ATM Q13315 1/20 0.40
TGM2 P21980 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
SCHEMBL8434771 0.89 PRSS1 (0.49) PRSS1PRSS2PRSS3TPSAB1RAB9A
SCHEMBL8434716 0.88 PRSS1 (0.56) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8433402 0.86 PRSS1 (0.52) PRSS1PRSS2PRSS3TPSAB1RAB9A
SCHEMBL8433513 0.84 PRSS1 (0.48) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8434781 0.82 HDAC1 (0.48) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8437485 0.82 PRSS1 (0.61) PRSS1PRSS2PRSS3TPSAB1RAB9A
SCHEMBL8434690 0.81 PRSS1 (0.47) PRSS1PRSS2PRSS3TPSAB1ATM
SCHEMBL8494852 0.80 ELANE (0.63)
SCHEMBL8433712 0.80 PRSS1 (0.46) PRSS1PRSS2PRSS3TPSAB1RAB9A
SCHEMBL8434784 0.80 PRSS1 (0.46) 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