SCHEMBL18537293

SCHEMBL18537293

CCOC(=O)COc1cc(CCNC(=O)C(F)(F)F)ccc1N(CC(=O)OCC)CC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
ADRB3 P13945 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL15744664 0.85 ADRB3 (0.39) KMT2AADRB3
SCHEMBL15744672 0.81 PPARA (0.40) ADRB3ALDH1A1LMNA
SCHEMBL15744661 0.72 PTPN1 (0.48) KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL15745135 0.72 ALDH1A1 (0.49) ALDH1A1LMNA
SCHEMBL6987265 0.72 KMT2A (0.57) KMT2AALDH1A1LMNA
SCHEMBL15744662 0.70 TDP1 (0.60) L3MBTL1ALDH1A1LMNA
SCHEMBL1968355 0.69 CA12 (0.66) KMT2AALDH1A1
SCHEMBL9520757 0.69 NPC1 (0.48) KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL15744671 0.68 BCHE (0.38) ADRB3ALDH1A1
SCHEMBL15744663 0.68 SYK (0.36) ADRB3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2926121-B1 MULTI-LAYER DEVICE FOR SELECTIVELY DETERMINING MAGNESIUM ION OPTI MEDICAL SYSTEMS INC (US) 2017-02-22 EP disclosed