SCHEMBL8657174

SCHEMBL8657174

CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(C)[N+](CC(=O)OCc1ccccc1)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KLK7 P49862 2/20 0.42
KLK5 Q9Y337 2/20 0.42
FKBP1A P62942 5/20 0.41
PDE4B Q07343 1/20 0.41
CTSL P07711 1/20 0.40
SYK P43405 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CMA1 P23946 1/20 0.37
CACNA1B Q00975 2/20 0.37

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
SCHEMBL741638 0.76 KMT2A (0.47) KMT2AL3MBTL1KLK7KLK5FKBP1A
SCHEMBL30440711 0.76 KMT2A (0.51) KMT2AL3MBTL1CTSLSYKALDH1A1
SCHEMBL4033681 0.72 CPB1 (0.54) KMT2AL3MBTL1PDE4BCTSLSYK
SCHEMBL12873055 0.71 KMT2A (0.47) KMT2AL3MBTL1KLK7KLK5PDE4B
SCHEMBL27978282 0.71 FKBP1A (0.52) KMT2AL3MBTL1FKBP1APDE4BCTSL
SCHEMBL12667212 0.70 KMT2A (0.63) KMT2AL3MBTL1CTSLSYKALDH1A1
SCHEMBL1864036 0.70 KMT2A (0.63) KMT2AL3MBTL1CTSLSYKALDH1A1
SCHEMBL2670623 0.70 KMT2A (0.63) KMT2AL3MBTL1CTSLSYKALDH1A1
SCHEMBL6370475 0.70 KMT2A (0.63) KMT2AL3MBTL1CTSLSYKALDH1A1
SCHEMBL16523966 0.70 KMT2A (0.63) KMT2AL3MBTL1CTSLSYKALDH1A1

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-0871608-A1 NOVEL MONOFUNCTIONALISED EDTA, DTPA AND TTHA DERIVATIVES AND THEIR USE IN MEDICAL DIAGNOSIS AND THERAPY SCHERING AKTIENGESELLSCHAFT (DE) 1998-10-21 EP disclosed
WO-1997025305-A1 NOVEL MONOFUNCTIONALISED EDTA, DTPA AND TTHA DERIVATIVES AND THEIR USE IN MEDICAL DIAGNOSIS AND THERAPY SCHERING AKTIENGESELLSCHAFT (DE) 1997-07-17 WO disclosed