SCHEMBL18328829

SCHEMBL18328829

CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C=O)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.49
▸ MMP2 P08253 4/20 0.47
▸ MMP9 P14780 4/20 0.47
▸ MMP8 P22894 4/20 0.47
▸ MMP1 P03956 3/20 0.47
▸ EDNRA P25101 1/20 0.47
▸ CASP1 P29466 3/20 0.47
▸ CASP3 P42574 2/20 0.47
▸ CASP7 P55210 2/20 0.47
▸ CASP4 P49662 1/20 0.47
▸ CASP5 P51878 1/20 0.47
▸ CASP9 P55211 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ CASP8 Q14790 1/20 0.47
▸ CASP10 Q92851 1/20 0.47
▸ ERAP2 Q6P179 1/20 0.45
▸ CCKBR P32239 3/20 0.44
▸ MAGI3 Q5TCQ9 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ TACR1 P25103 1/20 0.44

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
SCHEMBL21481062 1.00 CTSL (0.49) CTSLMMP2MMP9MMP8MMP1
SCHEMBL1548820 1.00 CTSL (0.49) CTSLMMP2MMP9MMP8MMP1
SCHEMBL4671134 0.87 CTSL (0.49) CTSLMMP2MMP9MMP8CASP1
SCHEMBL29409610 0.86 MC4R (0.49) CTSLEDNRA
SCHEMBL30533201 0.86 EDNRA (0.67) MMP2MMP9MMP8MMP1EDNRA
SCHEMBL26421774 0.85 EDNRA (0.55) MMP2MMP9MMP8MMP1EDNRA
SCHEMBL3253193 0.83 PTPN1 (0.43) EDNRACASP3CASP7
SCHEMBL30533189 0.83 EDNRA (0.73) MMP2MMP9MMP8MMP1EDNRA
SCHEMBL6687472 0.83 CASP1 (0.46) MMP8MMP1CASP1CASP3CASP7
SCHEMBL30999648 0.82 CCKBR (0.62) CCKBRCCKAR

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
WO-2016204197-A1 PROTEIN DEGRADATION INDUCING TAG AND USAGE THEREOF 学校法人東京理科大学 2016-12-22 — — WO disclosed
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