SCHEMBL7859103

SCHEMBL7859103

NCCC[C@H](NC(=O)[C@@H](N)CCc1ccccc1)C(=O)Oc1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 14/20 0.52
ERAP2 Q6P179 7/20 0.51
ERAP1 Q9NZ08 4/20 0.51
LTA4H P09960 1/20 0.42
METAP2 P50579 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TPSAB1 Q15661 1/20 0.39

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 SCHEMBL7859146 0.94 LNPEP (0.48) LNPEPERAP2ERAP1LTA4HMETAP2
SCHEMBL7860762 0.91 LNPEP (0.47) LNPEPERAP2ERAP1ITGB3ITGA2B
SCHEMBL8362723 0.89 LNPEP (0.46) LNPEPERAP2ERAP1METAP2
SCHEMBL7860804 0.89 MMP2 (0.47) LTA4HITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7860829 0.86 LNPEP (0.44) LNPEPERAP2ERAP1ITGB3ITGA2B
SCHEMBL7850357 0.86 MMP2 (0.51) LNPEPERAP2ERAP1LTA4HITGB3
SCHEMBL8362562 0.85 LNPEP (0.43) LNPEPERAP2ERAP1METAP2
Trifluoroacetic Acid SCHEMBL7860786 0.84 KDM4E (0.43) LTA4HITGB3ITGA2B
SCHEMBL7850353 0.78 LTA4H (0.50) LNPEPERAP2ERAP1LTA4HMETAP2
SCHEMBL7857783 0.78 LNPEP (0.43) LNPEPERAP2ERAP1LTA4H

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-6245746-B1 ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC MICROCIDE PHARMACEUTICALS, INC. 2001-06-12 US disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed