SCHEMBL17541276

SCHEMBL17541276

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ SIRT2 Q8IXJ6 5/20 0.37
▸ SIRT1 Q96EB6 4/20 0.37
▸ SIRT3 Q9NTG7 3/20 0.37
▸ FURIN P09958 2/20 0.37
▸ PSMB8 P28062 1/20 0.37
▸ PSMB9 P28065 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.36
▸ SSTR3 P32745 1/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 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
SCHEMBL17550383 1.00 PTPN1 (0.38) PTPN1MDM2SIRT2SIRT1SIRT3
SCHEMBL17541309 0.98 KLK7 (0.38) PTPN1MDM2SIRT2SIRT1SIRT3
SCHEMBL29423538 0.94 MDM2 (0.39) MDM2SIRT2SIRT1SIRT3PSMB8
SCHEMBL30288542 0.94 PTPN1 (0.42) PTPN1MDM2FURINSIRT5SSTR3
SCHEMBL17550420 0.93 PSMB5 (0.39) PTPN1SIRT2SIRT1SIRT3FURIN
SCHEMBL15669246 0.93 FURIN (0.40) PTPN1SIRT2SIRT1SIRT3FURIN
SCHEMBL29723475 0.93 FURIN (0.40) PTPN1SIRT2SIRT1SIRT3FURIN
SCHEMBL12094377 0.92 HTR2A (0.40) PTPN1SIRT2SIRT1SIRT3FURIN
SCHEMBL12944195 0.92 HTR2A (0.40) PTPN1SIRT2SIRT1SIRT3FURIN
SCHEMBL19731720 0.92 HTR2A (0.40) PTPN1SIRT2SIRT1SIRT3FURIN

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 2 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
Send feedback