SCHEMBL7733828

SCHEMBL7733828

NCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)c1nc(C(=O)OC(=O)C(F)(F)F)co1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 3/20 0.38
MMP2 P08253 1/20 0.35
LTA4H P09960 1/20 0.35
LNPEP Q9UIQ6 5/20 0.34
ERAP2 Q6P179 3/20 0.34
ERAP1 Q9NZ08 2/20 0.33
SRC P12931 1/20 0.33
ZAP70 P43403 1/20 0.33
CTSC P53634 2/20 0.33
F2R P25116 1/20 0.32
CES1 P23141 4/20 0.32
NCEH1 Q6PIU2 1/20 0.32
FAAH O00519 3/20 0.32

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
SCHEMBL7732329 0.91 ZAP70 (0.34) DAGLALTA4HSRCZAP70CTSC
Trifluoroacetic Acid SCHEMBL7731056 0.88 PRSS1 (0.38) DAGLAMMP2LTA4HLNPEP
Trifluoroacetic Acid SCHEMBL7733824 0.88 MMP2 (0.39) DAGLAMMP2LTA4HLNPEPERAP2
Trifluoroacetic Acid SCHEMBL7735541 0.88 CCR3 (0.41) DAGLAMMP2LNPEPERAP2ERAP1
Trifluoroacetic Acid SCHEMBL7732364 0.82 PRSS1 (0.40) MMP2LTA4HLNPEPERAP2SRC
Trifluoroacetic Acid SCHEMBL7732324 0.80 SLC7A11 (0.37) MMP2LTA4HSRCZAP70CTSC
SCHEMBL7861009 0.79 MMP2 (0.40) MMP2LTA4HLNPEPERAP2ERAP1
Trifluoroacetic Acid SCHEMBL7723297 0.78 RAB9A (0.41)
SCHEMBL7730721 0.77 LTA4H (0.40) MMP2LTA4HLNPEPERAP2ERAP1
Trifluoroacetic Acid SCHEMBL8360682 0.77 LNPEP (0.35) LTA4HLNPEPERAP2ERAP1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed