SCHEMBL14439376

SCHEMBL14439376

CC(C)CC(NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)N1CCOCC1)C(=O)NC(CCC(N)=O)C(=O)NCCOc1ccc2c(c1)C(=O)C(=O)C1=C2OC(C)(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.36
▸ MALT1 Q9UDY8 2/20 0.36
▸ NMT2 O60551 1/20 0.34
▸ NMT1 P30419 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ TPSAB1 Q15661 1/20 0.34
▸ MMP1 P03956 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ PSMB11 A5LHX3 2/20 0.33
▸ PSMA7 O14818 2/20 0.33
▸ PSMB1 P20618 2/20 0.33
▸ PSMA1 P25786 2/20 0.33
▸ PSMA2 P25787 2/20 0.33
▸ PSMA3 P25788 2/20 0.33
▸ PSMA4 P25789 2/20 0.33
▸ PSMB8 P28062 2/20 0.33
▸ PSMB9 P28065 2/20 0.33

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
SCHEMBL13611353 0.80 PSMB11 (0.37) CAPN1NMT2NMT1MMP1MMP3
SCHEMBL13624745 0.77 PSMB5 (0.38) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL13624749 0.73 CTSS (0.48) CAPN1NMT2NMT1PSMB11PSMA7
SCHEMBL14399315 0.73 CTSS (0.48) CAPN1NMT2NMT1PSMB11PSMA7
SCHEMBL14439383 0.73 CTSS (0.43) CAPN1CTSSCTSKCTSBCTSH
SCHEMBL14439367 0.69 KDM4E (0.41) CTSS
SCHEMBL14439374 0.68 MALT1 (0.71) MALT1
SCHEMBL15744687 0.68 APLNR (0.40) CAPN1NMT2NMT1PSMB11PSMA7
SCHEMBL22070349 0.68 APLNR (0.37) CAPN1OPRK1
SCHEMBL22070351 0.68 APLNR (0.37) CAPN1OPRK1

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
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 — — US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 — — US disclosed
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