SCHEMBL19445181

SCHEMBL19445181

COc1ccc(NC(=O)[C@@H](CCCN)NC(=O)c2cc(NC(=O)[C@@H](CCCN)NC(=O)c3cc(NC(=O)[C@H](C)CCCN)ccc3O)ccc2OC)cc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.42
▸ TSHR P16473 1/20 0.39
▸ KCNB1 Q14721 5/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KCNA5 P22460 2/20 0.36
▸ CLPP Q16740 1/20 0.36
▸ KCNK2 O95069 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ PRMT1 Q99873 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KLKB1 P03952 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL19445719 0.93 KLKB1 (0.41) MMP2TSHRKCNB1KMT2AMEN1
SCHEMBL10262149 0.89 ERAP2 (0.43) MMP2TSHRKLKB1
SCHEMBL13978369 0.87 ALDH1A1 (0.44) MMP2TSHRKCNB1KMT2AMEN1
SCHEMBL10199166 0.86 FFAR1 (0.41) MMP2TSHRKCNB1KCNA5KCNK2
SCHEMBL10261894 0.86 ERAP2 (0.43) MMP2TSHRKCNB1KMT2AMEN1
SCHEMBL10262460 0.86 ERAP2 (0.43) MMP2TSHRKCNB1KMT2AMEN1
SCHEMBL10260677 0.85 KLKB1 (0.41) MMP2TSHRKCNB1KMT2AMEN1
SCHEMBL19445517 0.84 NPY4R (0.40) MMP2TSHRF2
SCHEMBL21371608 0.84 ERAP2 (0.46) MMP2TSHRKLKB1
SCHEMBL21371927 0.84 KLKB1 (0.41) MMP2TSHRKCNB1KMT2AMEN1

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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