SCHEMBL7197974

SCHEMBL7197974

CCCCCCCCCCCCCCCCCC(=O)NCNC(=O)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
HSD17B3 P37058 6/20 0.54
HDAC1 Q13547 5/20 0.53
HDAC3 O15379 3/20 0.53
HDAC4 P56524 3/20 0.53
HDAC7 Q8WUI4 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC10 Q969S8 3/20 0.53
HDAC11 Q96DB2 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC9 Q9UKV0 3/20 0.53
HDAC5 Q9UQL6 3/20 0.53
GAA P10253 1/20 0.52
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PSMB11 A5LHX3 1/20 0.47

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
SCHEMBL8387257 0.96 HSD17B3 (0.58) POLBHSD17B3HDAC1HDAC3HDAC4
SCHEMBL8625980 0.96 HSD17B3 (0.58) POLBHSD17B3HDAC1HDAC3HDAC4
SCHEMBL8391799 0.96 HSD17B3 (0.58) POLBHSD17B3HDAC1HDAC3HDAC4
SCHEMBL8390669 0.96 HSD17B3 (0.58) POLBHSD17B3HDAC1HDAC3HDAC4
SCHEMBL7198272 0.88 HSD17B3 (0.50) POLBHSD17B3HDAC1HDAC3HDAC4
SCHEMBL8388542 0.88 HSD17B3 (0.50) POLBHSD17B3HDAC1HDAC3HDAC4
SCHEMBL7198044 0.88 HSD17B3 (0.50) POLBHSD17B3HDAC1HDAC3HDAC4
SCHEMBL8627071 0.88 ESR1 (0.55) POLBHSD17B3HDAC1HDAC3HDAC4
SCHEMBL8624651 0.83 ESR1 (0.52) HSD17B3HDAC1HDAC3HDAC4HDAC7
SCHEMBL7197701 0.83 L3MBTL1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2

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
US-6596669-B1 Comprising a support and two reversible heat-sensitive recording layers having different colors formed on the same side of the support, comprising colorless electron-donative dye precursor and an electron-accepting compound MITSUBISHI PAPER MILLS LIMITED (JP) 2003-07-22 US disclosed
EP-0648612-B1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS LTD (JP) 1998-06-10 EP disclosed
US-5498772-A SUBSTRATE WITH HEAT SENSITIVE LAYER AND OPTICAL RECORDING LAYER MITSUBISHI PAPER MILLS LIMITED (JP) 1996-03-12 US disclosed
EP-0648612-A1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS, LTD. (JP) 1995-04-19 EP disclosed