SCHEMBL7732329

SCHEMBL7732329

NCCC[C@@H](N)C(=O)N[C@H](CCc1ccc2ccccc2c1)c1nc(C(=O)OC(=O)C(F)(F)F)co1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.34
SRC P12931 1/20 0.34
SLC7A11 Q9UPY5 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
TPSAB1 Q15661 1/20 0.32
CTSC P53634 1/20 0.32
CCR3 P51677 1/20 0.32
MC4R P32245 2/20 0.31
MC5R P33032 2/20 0.31
MC3R P41968 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
LTA4H P09960 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
REN P00797 2/20 0.31
GHSR Q92847 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL7733828 0.91 DAGLA (0.38) ZAP70SRCCTSCLTA4HDAGLA
Trifluoroacetic Acid SCHEMBL7732324 0.88 SLC7A11 (0.37) ZAP70SRCSLC7A11PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7732364 0.88 PRSS1 (0.40) ZAP70SRCPRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7731056 0.80 PRSS1 (0.38) PRSS1PRSS2PRSS3TPSAB1LTA4H
Trifluoroacetic Acid SCHEMBL7735541 0.79 CCR3 (0.41) ZAP70SRCPRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7733824 0.79 MMP2 (0.39) ZAP70SRCCTSCLTA4HDAGLA
SCHEMBL7730721 0.78 LTA4H (0.40) ZAP70SRCLTA4H
Trifluoroacetic Acid SCHEMBL7723297 0.73 RAB9A (0.41) HDAC1HDAC8
SCHEMBL7735549 0.72 LTA4H (0.38) ZAP70SRCHDAC1LTA4H
SCHEMBL7861009 0.71 MMP2 (0.40) PRSS1PRSS2PRSS3TPSAB1CTSC

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
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed