SCHEMBL7733653

SCHEMBL7733653

CC(C)(C)OC(=O)NCCC[C@@H](N)C(=O)N(C(=O)OC(C)(C)C)[C@H](CCc1ccc2ccccc2c1)c1nc(C(=O)OCc2ccccc2)co1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
TPSAB1 Q15661 2/20 0.37
TPSD1 Q9BZJ3 2/20 0.37
TPSG1 Q9NRR2 2/20 0.37
KLK7 P49862 2/20 0.35
KLK5 Q9Y337 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ANPEP P15144 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
SYK P43405 1/20 0.34
NQO2 P16083 1/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL7723327 0.94 MAPT (0.44) MAPTTPSAB1TPSD1TPSG1KLK7
SCHEMBL7730530 0.89 MAPT (0.38) MAPTTPSAB1TPSD1TPSG1CTSS
SCHEMBL7723264 0.86 SCD (0.35) MAPTCTSKNQO2NPSR1
SCHEMBL7733597 0.79 MAPT (0.51) MAPTCTSBCTSSCTSKSYK
SCHEMBL7735836 0.75 SLC1A3 (0.40) MAPTTPSAB1CTSBCTSSKMT2A
SCHEMBL10045813 0.71 MAPT (0.67) MAPTKLK7KLK5L3MBTL1POLB
SCHEMBL7723171 0.71 MAPT (0.56) MAPTKLK7KLK5CTSSCTSK
SCHEMBL21164376 0.70 MAPT (0.55) MAPTKLK7KLK5L3MBTL1CTSK
Hydrochloric Acid SCHEMBL29401089 0.69 MAPT (0.54) MAPTKLK7KLK5L3MBTL1CTSK
SCHEMBL8990124 0.69 MAPT (0.49) MAPTTPSAB1TPSD1TPSG1KLK7

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