SCHEMBL13978374

SCHEMBL13978374

COc1ccc(NC(=O)[C@@H](CCCN)NC(=O)c2cc(NC(=O)[C@@H](CCCN)NC(=O)c3cc(NC(=O)[C@@H](CCCN)NC(=O)c4cc(NC(=O)[C@H](N)CCCN)ccc4OC)ccc3OC)ccc2OCC(=O)O)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.41
▸ ERAP2 Q6P179 4/20 0.40
▸ LNPEP Q9UIQ6 3/20 0.40
▸ ERAP1 Q9NZ08 2/20 0.39
▸ FFAR1 O14842 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGB1 P05556 1/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ ITGB5 P18084 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ SUV39H2 Q9H5I1 1/20 0.38
▸ AAK1 Q2M2I8 2/20 0.38
▸ KCNB1 Q14721 2/20 0.38

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
SCHEMBL12444347 0.97 ERAP2 (0.43) MMP2ERAP2LNPEPERAP1FFAR1
SCHEMBL10199226 0.97 ERAP2 (0.43) MMP2ERAP2LNPEPERAP1FFAR1
SCHEMBL12444349 0.97 ERAP2 (0.43) MMP2ERAP2LNPEPERAP1FFAR1
SCHEMBL10199137 0.97 ERAP2 (0.43) MMP2ERAP2LNPEPERAP1FFAR1
SCHEMBL19219773 0.97 ERAP2 (0.42) MMP2ERAP2LNPEPERAP1FFAR1
SCHEMBL21371614 0.97 ERAP2 (0.42) MMP2ERAP2LNPEPERAP1FFAR1
SCHEMBL21371982 0.97 ERAP2 (0.42) MMP2ERAP2LNPEPERAP1FFAR1
SCHEMBL13978361 0.94 ERAP2 (0.41) MMP2ERAP2LNPEPERAP1FFAR1
SCHEMBL10199113 0.94 ERAP2 (0.40) MMP2ERAP2LNPEPERAP1FFAR1
SCHEMBL12515263 0.93 NPY4R (0.37) MMP2ERAP2LNPEPERAP1FFAR1

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
WO-2012158672-A2 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS POLYMEDIX, INC. (US) 2012-11-22 — — WO disclosed
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