SCHEMBL8387978

SCHEMBL8387978

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

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.65
SIRT2 Q8IXJ6 2/20 0.64
SIRT1 Q96EB6 2/20 0.64
CTSL P07711 2/20 0.60
CTSS P25774 1/20 0.60
ITGB3 P05106 7/20 0.59
ITGAV P06756 3/20 0.59
TGM2 P21980 3/20 0.58
ECE1 P42892 1/20 0.56
PPARG P37231 1/20 0.56
PPARA Q07869 1/20 0.56
ITGA2B P08514 4/20 0.56
SIRT5 Q9NXA8 1/20 0.56
CTSK P43235 1/20 0.56

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
SCHEMBL10421088 0.97 FOLH1 (0.62) FOLH1SIRT2SIRT1CTSLCTSS
SCHEMBL600823 0.94 FOLH1 (0.60) FOLH1SIRT2SIRT1CTSLCTSS
SCHEMBL5711357 0.94 FOLH1 (0.60) FOLH1SIRT2SIRT1CTSLCTSS
SCHEMBL26641195 0.94 FOLH1 (0.60) FOLH1SIRT2SIRT1CTSLCTSS
SCHEMBL5711236 0.94 FOLH1 (0.60) FOLH1SIRT2SIRT1CTSLCTSS
SCHEMBL19658555 0.94 FOLH1 (0.60) FOLH1SIRT2SIRT1CTSLCTSS
SCHEMBL15968143 0.93 ITGB3 (0.66) FOLH1SIRT2SIRT1ITGB3ECE1
SCHEMBL11308449 0.93 SIRT2 (0.74) FOLH1SIRT2SIRT1CTSLCTSS
SCHEMBL9828826 0.93 FOLH1 (0.69) FOLH1SIRT2SIRT1CTSLCTSS
SCHEMBL287475 0.93 ITGB3 (0.66) FOLH1SIRT2SIRT1ITGB3ECE1

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