SCHEMBL7861009

SCHEMBL7861009

NCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)c1nc(Cc2ccccc2)co1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
CTSC P53634 3/20 0.38
LNPEP Q9UIQ6 6/20 0.37
ERAP2 Q6P179 4/20 0.37
ERAP1 Q9NZ08 3/20 0.37
LTA4H P09960 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TPSAB1 Q15661 1/20 0.36
KMT2A Q03164 1/20 0.35
CTSB P07858 1/20 0.35
CTSH P09668 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MMP3 P08254 2/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
TSHR P16473 1/20 0.34
METAP2 P50579 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL7733824 0.82 MMP2 (0.39) MMP2CTSCLNPEPERAP2ERAP1
SCHEMBL7733828 0.79 DAGLA (0.38) MMP2CTSCLNPEPERAP2ERAP1
SCHEMBL7730721 0.79 LTA4H (0.40) MMP2LNPEPERAP2ERAP1LTA4H
Trifluoroacetic Acid SCHEMBL7731056 0.78 PRSS1 (0.38) MMP2LNPEPLTA4HPRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7735541 0.77 CCR3 (0.41) MMP2CTSCLNPEPERAP2ERAP1
SCHEMBL7735983 0.76 RAB9A (0.44) KMT2ATSHR
SCHEMBL10084246 0.75 ZAP70 (0.37) MMP2PRSS1PRSS2PRSS3TPSAB1
Trifluoroacetic Acid SCHEMBL7732324 0.74 SLC7A11 (0.37) MMP2CTSCLTA4HPRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7723297 0.73 RAB9A (0.41) KMT2ATSHR
SCHEMBL7857980 0.72 LNPEP (0.55) MMP2CTSCLNPEPERAP2ERAP1

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

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