SCHEMBL19445834

SCHEMBL19445834

COc1ccc(NC(=O)C(CCCCN)NC(=O)c2cc(C(=O)N[C@H](C=O)CCCCN)c(OC)cc2OC)cc1C(=O)NC(CCCCN)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 5/20 0.39
▸ KLKB1 P03952 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HPGDS O60760 1/20 0.37
▸ KCNB1 Q14721 2/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ CAPN1 P07384 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SUV39H2 Q9H5I1 1/20 0.35
▸ PDF Q9HBH1 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
SCHEMBL12516946 0.93 KLKB1 (0.42) MMP2KLKB1TSHRHPGDSKCNB1
SCHEMBL19445833 0.93 KLKB1 (0.42) MMP2KLKB1TSHRHPGDSKCNB1
SCHEMBL19445810 0.90 KCNB1 (0.40) MMP2KLKB1TSHRKCNB1HDAC1
SCHEMBL19445603 0.90 KLKB1 (0.39) MMP2KLKB1TSHRKCNB1HDAC1
SCHEMBL19445879 0.90 KCNK3 (0.41) MMP2KLKB1TSHRKCNB1HDAC1
SCHEMBL19445641 0.90 ERAP2 (0.44) MMP2KLKB1SUV39H2
SCHEMBL13977753 0.89 KLKB1 (0.40) MMP2KLKB1TSHRHPGDSKCNB1
SCHEMBL12779221 0.86 ERAP2 (0.47) MMP2KLKB1TSHRHPGDSSUV39H2
SCHEMBL19445695 0.85 SUV39H2 (0.45) MMP2KCNB1SUV39H2
SCHEMBL19944963 0.84 HPGDS (0.48) MMP2KLKB1TSHRHPGDSKCNB1

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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