SCHEMBL19445640

SCHEMBL19445640

COc1ccc(NC(=O)[C@H](CCCCN)NC(=O)c2cc(N)ccc2OC)cc1C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.41
▸ LNPEP Q9UIQ6 6/20 0.40
▸ ERAP2 Q6P179 6/20 0.40
▸ ERAP1 Q9NZ08 3/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ KCNB1 Q14721 4/20 0.39
▸ KCNA5 P22460 1/20 0.37
▸ PYGL P06737 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37

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
SCHEMBL19445642 0.91 ERAP2 (0.47) MMP2LNPEPERAP2ERAP1KLKB1
SCHEMBL12444385 0.91 ERAP2 (0.47) MMP2LNPEPERAP2ERAP1KLKB1
SCHEMBL10261730 0.91 ERAP2 (0.47) MMP2LNPEPERAP2ERAP1KLKB1
SCHEMBL19485952 0.90 ERAP2 (0.46) MMP2LNPEPERAP2ERAP1KLKB1
SCHEMBL21371981 0.90 ERAP2 (0.46) MMP2LNPEPERAP2ERAP1KLKB1
SCHEMBL12515368 0.90 KLKB1 (0.41) MMP2LNPEPERAP2ERAP1KLKB1
SCHEMBL19445715 0.89 KLKB1 (0.41) MMP2LNPEPERAP2ERAP1KLKB1
SCHEMBL21371597 0.89 KLKB1 (0.41) MMP2LNPEPERAP2ERAP1KLKB1
SCHEMBL19445603 0.86 KLKB1 (0.39) MMP2LNPEPERAP2ERAP1KLKB1
SCHEMBL19445630 0.86 LNPEP (0.48) MMP2LNPEPERAP2ERAP1TSHR

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
EP-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
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