SCHEMBL17541309

SCHEMBL17541309

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 1/20 0.38
▸ KLK5 Q9Y337 1/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ TLR2 O60603 1/20 0.37
▸ TLR1 Q15399 1/20 0.37
▸ FURIN P09958 2/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ PSMB8 P28062 1/20 0.37
▸ PSMB9 P28065 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ SSTR3 P32745 1/20 0.36
▸ SIRT2 Q8IXJ6 5/20 0.36
▸ SIRT1 Q96EB6 3/20 0.36
▸ SIRT3 Q9NTG7 3/20 0.36

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
SCHEMBL17541276 0.98 PTPN1 (0.38) PTPN1FURINMDM2PSMB8PSMB9
SCHEMBL17550383 0.98 PTPN1 (0.38) PTPN1FURINMDM2PSMB8PSMB9
SCHEMBL17550420 0.94 PSMB5 (0.39) PTPN1FURINPSMB5SSTR3SIRT2
SCHEMBL29723475 0.94 FURIN (0.40) PTPN1FURINPSMB5SSTR3SIRT2
SCHEMBL15669246 0.94 FURIN (0.40) PTPN1FURINPSMB5SSTR3SIRT2
SCHEMBL30288542 0.93 PTPN1 (0.42) PTPN1FURINMDM2SSTR3
SCHEMBL29423538 0.92 MDM2 (0.39) KLK7KLK5MDM2PSMB8PSMB9
SCHEMBL12094377 0.91 HTR2A (0.40) PTPN1FURINSSTR3SIRT2SIRT1
SCHEMBL19731720 0.91 HTR2A (0.40) PTPN1FURINSSTR3SIRT2SIRT1
SCHEMBL12944195 0.91 HTR2A (0.40) PTPN1FURINSSTR3SIRT2SIRT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3185908-A1 STABILITY-MODULATING LINKERS FOR USE WITH ANTIBODY DRUG CONJUGATES Pfizer Inc (US) 2017-07-05 — — EP disclosed
WO-2016030791-A1 STABILITY-MODULATING LINKERS FOR USE WITH ANTIBODY DRUG CONJUGATES PFIZER INC. (US) 2016-03-03 — — WO disclosed
WO-2016030791-A1 STABILITY-MODULATING LINKERS FOR USE WITH ANTIBODY DRUG CONJUGATES PFIZER INC. (US) 2016-03-03 — — WO disclosed
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