SCHEMBL8103406

SCHEMBL8103406

CC(C)(C)OC(=O)N1CCc2[nH]c3cccc(CC(=O)O)c3c2C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F12 P00748 3/20 0.44
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
PABPC1 P11940 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CFTR P13569 1/20 0.42
C5AR1 P21730 2/20 0.40
ESR2 Q92731 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
FAAH O00519 1/20 0.39
P2RX3 P56373 3/20 0.39
PDK4 Q16654 1/20 0.39
MAPK1 P28482 1/20 0.39
NR1H2 P55055 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
SCHEMBL21630707 0.84 CFTR (0.56) F12LMNAMAPTBAZ2BPARP1
SCHEMBL21114784 0.83 CTSK (0.48) F12LMNAMAPTBAZ2BPARP1
SCHEMBL29357232 0.83 CTSK (0.48) F12LMNAMAPTBAZ2BPARP1
SCHEMBL8713133 0.82 TRPV1 (0.44) F12PARP1TNKS2PARP2TRPV1
SCHEMBL6475020 0.79 F12 (0.43) F12LMNAMAPTBAZ2BPARP1
SCHEMBL2241936 0.78 MAPT (0.69) LMNAMAPTBAZ2BPABPC1ATM
SCHEMBL29357331 0.78 MAPT (0.69) LMNAMAPTBAZ2BPABPC1ATM
Acetic Acid SCHEMBL8714196 0.78 MAPT (0.68) LMNAMAPTBAZ2BPABPC1ATM
SCHEMBL6475935 0.75 PARP1 (0.43) F12LMNAMAPTBAZ2BPARP1
SCHEMBL21588265 0.74 PARP1 (0.49) F12PARP1TNKS2PARP2ESR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716661-B1 PSEUDO- AND NON-PEPTIDE BRADYKININ RECEPTOR ANTAGONISTS SCIOS INC (US) 2000-04-05 EP disclosed
EP-0716661-A1 PSEUDO- AND NON-PEPTIDE BRADYKININ RECEPTOR ANTAGONISTS SCIOS NOVA INC. (US) 1996-06-19 EP disclosed
WO-1995007294-A1 PSEUDO- AND NON-PEPTIDE BRADYKININ RECEPTOR ANTAGONISTS SCIOS NOVA INC. (US) 1995-03-16 WO disclosed