SCHEMBL19445719

SCHEMBL19445719

COc1ccc(NC(=O)[C@H](CCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCN)NC(=O)c3cc(NC(=O)[C@@H](C)CCCCN)ccc3OC)ccc2OC)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ KCNB1 Q14721 4/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ERAP2 Q6P179 2/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PDF Q9HBH1 1/20 0.37
▸ LNPEP Q9UIQ6 1/20 0.37
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL10199166 0.93 FFAR1 (0.41) KLKB1TSHRMMP2KCNB1KCNA5
SCHEMBL19445181 0.93 MMP2 (0.42) KLKB1TSHRMMP2KCNB1KMT2A
SCHEMBL10260677 0.92 KLKB1 (0.41) KLKB1TSHRMMP2KCNB1KMT2A
SCHEMBL21371927 0.91 KLKB1 (0.41) KLKB1TSHRMMP2KCNB1KMT2A
SCHEMBL12515365 0.91 ALDH1A1 (0.43) KLKB1TSHRMMP2KCNB1KMT2A
SCHEMBL12767238 0.91 ALDH1A1 (0.43) KLKB1TSHRMMP2KCNB1KMT2A
SCHEMBL12766955 0.91 MMP2 (0.43) KLKB1TSHRMMP2KCNB1KMT2A
SCHEMBL10262850 0.91 KLKB1 (0.42) KLKB1TSHRMMP2KCNB1KMT2A
SCHEMBL16907359 0.91 KLKB1 (0.42) KLKB1TSHRMMP2KCNB1KMT2A
SCHEMBL15317942 0.91 LMNA (0.46) TSHRKMT2ALMNAMEN1HSD17B10

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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