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SCHEMBL1409102

SCHEMBL1409102

COC(=O)CNC(=O)C(NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H](Cc1cccnc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.41
▸ CTSB P07858 2/20 0.41
▸ PTPN1 P18031 8/20 0.41
▸ CASP3 P42574 2/20 0.38
▸ MDM4 O15151 1/20 0.38
▸ TP53 P04637 1/20 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
SCHEMBL1409105 1.00 CTSL (0.41) CTSLCTSBPTPN1CASP3MDM4
SCHEMBL2199171 0.93 PTPN1 (0.44) PTPN1CASP3MDM4TP53
SCHEMBL2199165 0.93 PTPN1 (0.44) PTPN1CASP3MDM4TP53
SCHEMBL1411037 0.89 CASP3 (0.46) PTPN1CASP3MDM4TP53
SCHEMBL1410927 0.89 CASP3 (0.46) PTPN1CASP3MDM4TP53
SCHEMBL1415067 0.89 CTSL (0.43) CTSLCTSBPTPN1MDM4TP53
SCHEMBL1415070 0.89 CTSL (0.43) CTSLCTSBPTPN1MDM4TP53
SCHEMBL2197673 0.88 CASP3 (0.48) PTPN1CASP3MDM4TP53
SCHEMBL2197679 0.88 CASP3 (0.48) PTPN1CASP3MDM4TP53
SCHEMBL12601389 0.88 CTSL (0.40) CTSLCTSBPTPN1MDM4TP53

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-2293845-A1 DEPSIPEPTIDES AND THEIR THERAPEUTIC USE Karus Therapeutics Limited (GB) 2011-03-16 — — EP disclosed
WO-2009141657-A1 DEPSIPEPTIDES AND THEIR THERAPEUTIC USE KARUS THERAPEUTICS LIMITED (GB) 2009-11-26 — — WO disclosed