SCHEMBL17550420

SCHEMBL17550420

CC(C)C(=O)N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 1/20 0.39
▸ FURIN P09958 3/20 0.39
▸ SSTR3 P32745 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ PTPN1 P18031 2/20 0.36
▸ SIRT2 Q8IXJ6 5/20 0.36
▸ SIRT1 Q96EB6 3/20 0.36
▸ SIRT3 Q9NTG7 3/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ MAP1LC3B Q9GZQ8 1/20 0.35
▸ TGM2 P21980 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
SCHEMBL15669246 0.97 FURIN (0.40) PSMB5FURINSSTR3HTR2APTPN1
SCHEMBL29723475 0.97 FURIN (0.40) PSMB5FURINSSTR3HTR2APTPN1
SCHEMBL17541309 0.94 KLK7 (0.38) PSMB5FURINSSTR3PTPN1SIRT2
SCHEMBL29414597 0.94 HTR2A (0.40) FURINSSTR3HTR2APTPN1SIRT2
SCHEMBL2734925 0.94 HTR2A (0.40) FURINSSTR3HTR2APTPN1SIRT2
SCHEMBL19731720 0.94 HTR2A (0.40) FURINSSTR3HTR2APTPN1SIRT2
SCHEMBL12094377 0.94 HTR2A (0.40) FURINSSTR3HTR2APTPN1SIRT2
SCHEMBL12944195 0.94 HTR2A (0.40) FURINSSTR3HTR2APTPN1SIRT2
SCHEMBL29579452 0.94 HTR2A (0.40) FURINSSTR3HTR2APTPN1SIRT2
SCHEMBL13830646 0.94 HTR2A (0.40) FURINSSTR3HTR2APTPN1SIRT2

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-2016030791-A1 STABILITY-MODULATING LINKERS FOR USE WITH ANTIBODY DRUG CONJUGATES PFIZER INC. (US) 2016-03-03 — — WO disclosed
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