SCHEMBL29964895

SCHEMBL29964895

CCCC[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](C)NC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 10/20 0.44
ALDH1A1 P00352 1/20 0.42
MMP2 P08253 4/20 0.41
REN P00797 2/20 0.41
MMP1 P03956 2/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39
NPC1 O15118 1/20 0.38
CTSK P43235 2/20 0.38

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
SCHEMBL29965298 0.85 OPRD1 (0.49)
SCHEMBL30167976 0.83 MMP1 (0.48) MMP3ALDH1A1RENMMP1MMP9
SCHEMBL29964886 0.81 ALDH1A1 (0.42) MMP3ALDH1A1MMP1MMP9MEN1
SCHEMBL30167978 0.77 PTPN1 (0.46) MMP3MMP1MMP9KMT2AERAP2
SCHEMBL30167975 0.76 PTPN1 (0.45) MMP3MMP1
SCHEMBL17542012 0.74 KIF11 (0.48) ALDH1A1MEN1KMT2AGAANPC1
SCHEMBL17542010 0.74 KIF11 (0.48) ALDH1A1MEN1KMT2AGAANPC1
SCHEMBL30100119 0.72 FPR2 (0.50) MMP3ALDH1A1KMT2A
SCHEMBL30990575 0.71 CCKBR (0.49) REN
SCHEMBL29964989 0.69 KIF11 (0.50) ALDH1A1MEN1KMT2AGAANPC1

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-4092038-A1 OPIOID AGONIST PEPTIDES AND USES THEREOF Protagonist Therapeutics, Inc. (US) 2022-11-23 EP disclosed