SCHEMBL8386880

SCHEMBL8386880

COC(=O)C(CCCCC(NC(=O)OCc1ccccc1)C(=O)OC)NC(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 4/20 0.67
▸ SIRT1 Q96EB6 4/20 0.67
▸ SIRT3 Q9NTG7 1/20 0.67
▸ KYNU Q16719 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ CTSL P07711 3/20 0.60
▸ CTSS P25774 2/20 0.60
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ CTSK P43235 3/20 0.56
▸ CTSB P07858 1/20 0.55
▸ TRPM8 Q7Z2W7 1/20 0.54
▸ SIRT5 Q9NXA8 1/20 0.54

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
SCHEMBL1199556 0.95 SIRT2 (0.74) SIRT2SIRT1SIRT3KYNUALDH1A1
SCHEMBL26222759 0.95 SIRT2 (0.74) SIRT2SIRT1SIRT3KYNUALDH1A1
SCHEMBL7362144 0.93 SIRT2 (0.67) SIRT2SIRT1SIRT3KYNUALDH1A1
SCHEMBL6477219 0.93 SIRT2 (0.61) SIRT2SIRT1SIRT3KYNUALDH1A1
SCHEMBL1840311 0.93 SIRT2 (0.61) SIRT2SIRT1SIRT3KYNUALDH1A1
SCHEMBL1161931 0.93 SIRT2 (0.61) SIRT2SIRT1SIRT3KYNUALDH1A1
SCHEMBL1840309 0.93 SIRT2 (0.61) SIRT2SIRT1SIRT3KYNUALDH1A1
SCHEMBL1111001 0.93 SIRT2 (0.60) SIRT2SIRT1SIRT3KYNUALDH1A1
SCHEMBL1110959 0.93 SIRT2 (0.60) SIRT2SIRT1SIRT3KYNUALDH1A1
SCHEMBL1110961 0.93 SIRT2 (0.60) SIRT2SIRT1SIRT3KYNUALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775104-B1 DIMER DTPA DERIVATIVES AND THEIR METAL COMPLEXES, PHARMACEUTICALS CONTAINING THE SAME, THEIR USE IN DIAGNOSIS AND THERAPY AND PROCESS FOR PREPARING SAID COMPLEXES AND PHARMACEUTICALS SCHERING AG (DE) 1999-05-06 — — EP disclosed
US-5695737-A CONTRAST MEDIA FOR NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-09 — — US disclosed
EP-0775104-A1 DIMER DTPA DERIVATIVES AND THEIR METAL COMPLEXES, PHARMACEUTICALS CONTAINING THE SAME, THEIR USE IN DIAGNOSIS AND THERAPY AND PROCESS FOR PREPARING SAID COMPLEXES AND PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-28 — — EP disclosed
WO-1996005167-A1 DIMER DTPA DERIVATIVES AND THEIR METAL COMPLEXES, PHARMACEUTICALS CONTAINING THE SAME, THEIR USE IN DIAGNOSIS AND THERAPY AND PROCESS FOR PREPARING SAID COMPLEXES AND PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-22 — — WO disclosed
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