SCHEMBL19445764

SCHEMBL19445764

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.40
▸ MMP2 P08253 5/20 0.39
▸ TSHR P16473 1/20 0.37
▸ ERAP2 Q6P179 5/20 0.37
▸ LNPEP Q9UIQ6 5/20 0.37
▸ ERAP1 Q9NZ08 2/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ PDF Q9HBH1 1/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ MEF2D Q14814 1/20 0.35
▸ KCNB1 Q14721 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
SCHEMBL19445644 0.90 ERAP2 (0.44) KLKB1MMP2ERAP2LNPEPERAP1
SCHEMBL19445603 0.88 KLKB1 (0.39) KLKB1MMP2TSHRERAP2LNPEP
SCHEMBL12515368 0.88 KLKB1 (0.41) KLKB1MMP2TSHRERAP2LNPEP
SCHEMBL21371597 0.87 KLKB1 (0.41) KLKB1MMP2TSHRERAP2LNPEP
SCHEMBL19445715 0.87 KLKB1 (0.41) KLKB1MMP2TSHRERAP2LNPEP
SCHEMBL19445640 0.85 MMP2 (0.41) KLKB1MMP2TSHRERAP2LNPEP
SCHEMBL19445637 0.85 KLKB1 (0.40) KLKB1MMP2TSHRERAP2LNPEP
SCHEMBL19445611 0.83 NPC1 (0.38) KLKB1MMP2TSHRERAP2LNPEP
SCHEMBL19445630 0.81 LNPEP (0.48) MMP2TSHRERAP2LNPEPERAP1
SCHEMBL12516946 0.80 KLKB1 (0.42) KLKB1MMP2TSHRERAP2LNPEP

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
Send feedback