SCHEMBL7735836

SCHEMBL7735836

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
CASP1 P29466 2/20 0.39
MAPT P10636 2/20 0.39
SLC7A11 Q9UPY5 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TPSAB1 Q15661 1/20 0.38
CYP1A2 P05177 1/20 0.38
METAP2 P50579 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
TSHR P16473 1/20 0.36
SLC13A5 Q86YT5 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36

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
SCHEMBL7733597 0.80 MAPT (0.51) CASP1MAPTCTSLCTSBCTSS
Trifluoroacetic Acid SCHEMBL7732364 0.78 PRSS1 (0.40) CASP1MAPTPRSS1PRSS2PRSS3
SCHEMBL15867717 0.78 TDP1 (0.46) MAPTTSHRSLC6A2SLC6A3KMT2A
SCHEMBL7732052 0.76 RAB9A (0.43) MAPTCYP1A2METAP2KMT2ATDP1
SCHEMBL7732335 0.76 CES1 (0.49) METAP2KMT2A
SCHEMBL7733653 0.75 MAPT (0.40) MAPTTPSAB1CTSBCTSSKMT2A
SCHEMBL7736280 0.72 DAGLA (0.34) METAP2CTSBCTSSKMT2AALDH1A1
SCHEMBL7734004 0.71 RAB9A (0.42) MAPTKMT2ATDP1KDM4EALDH1A1
SCHEMBL800520 0.70 DAGLA (0.47) SLC1A1SLC6A2SLC6A3SLC6A4
SCHEMBL6193806 0.69 LMNA (0.44) MAPTTSHREGLN1SLC6A2SLC6A3

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