SCHEMBL19445630

SCHEMBL19445630

COc1ccc(N)cc1C(=O)NC(CCCCN)C(=O)Nc1ccc(OC)c(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 8/20 0.48
▸ ERAP2 Q6P179 6/20 0.47
▸ MME P08473 4/20 0.44
▸ FPR2 P25090 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ ERAP1 Q9NZ08 3/20 0.41
▸ SSTR3 P32745 1/20 0.40
▸ ITGB1 P05556 2/20 0.40
▸ ITGA4 P13612 2/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ NPPA P01160 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ ECE1 P42892 1/20 0.39
▸ F2 P00734 1/20 0.39

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
SCHEMBL10262527 0.92 LNPEP (0.52) LNPEPERAP2MMEFPR2TSHR
SCHEMBL19486132 0.91 LNPEP (0.51) LNPEPERAP2MMEFPR2TSHR
SCHEMBL21371569 0.91 LNPEP (0.51) LNPEPERAP2MMEFPR2TSHR
SCHEMBL19445640 0.86 MMP2 (0.41) LNPEPERAP2TSHRERAP1MMP2
SCHEMBL12515368 0.85 KLKB1 (0.41) LNPEPERAP2TSHRERAP1MMP2
SCHEMBL19445676 0.85 FPR2 (0.52) LNPEPERAP2FPR2TSHRERAP1
SCHEMBL10263498 0.85 FPR2 (0.52) LNPEPERAP2FPR2TSHRERAP1
SCHEMBL10260986 0.85 FPR2 (0.52) LNPEPERAP2FPR2TSHRERAP1
SCHEMBL21371597 0.84 KLKB1 (0.41) LNPEPERAP2TSHRERAP1MMP2
SCHEMBL19445715 0.84 KLKB1 (0.41) LNPEPERAP2TSHRERAP1MMP2

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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