SCHEMBL3266671

SCHEMBL3266671

CC1(C)CC(O)CC(C)(C)N1OC(=O)CC(O)(CC(=O)ON1C(C)(C)CC(O)CC1(C)C)C(=O)ON1C(C)(C)CC(O)CC1(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 2/20 0.30

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
SCHEMBL984989 0.88 ALDH1A1 (0.33) KMT2AMEN1GAATSHR
SCHEMBL7038092 0.84 ALDH1A1 (0.42) KMT2ATSHR
SCHEMBL2857927 0.83 SMN1; SMN2 (0.37) KMT2AMEN1GAATSHR
SCHEMBL1232593 0.83 KMT2A (0.49) KMT2AMEN1GAATSHR
SCHEMBL1232059 0.79 GAA (0.43) KMT2AMEN1GAA
SCHEMBL28364620 0.79 KMT2A (0.40) KMT2AMEN1GAATSHR
SCHEMBL8503955 0.76 KMT2A (0.44) KMT2AMEN1GAATSHR
SCHEMBL23850586 0.74 KMT2A (0.43) KMT2AMEN1GAATSHR
SCHEMBL1232474 0.73 SMN1; SMN2 (0.36) KMT2AMEN1GAATSHR
SCHEMBL8148909 0.73 CYP4F2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646512-B1 INK JET RECORDING MEDIUM BASF SE (DE) 2010-06-09 EP disclosed
US-7521101-B2 Ink jet recording medium CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-04-21 US disclosed
US-20050032931-A1 Ink jet recording medium CIBA SPECIALTY CHEMICALS CORP. 2005-02-10 US disclosed