SCHEMBL8043973

SCHEMBL8043973

CCC(C)c1cc(CNC(=O)c2cccc(C(=O)NCc3cc(C(C)CC)cc(-n4nc5ccccc5n4)c3O)c2)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
TTR P02766 1/20 0.40
GAA P10253 3/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GLA P06280 1/20 0.37
BCHE P06276 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
EPHX2 P34913 2/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL8406942 0.95 MAP3K7 (0.39) HTTTTRGAAKMT2AHSD17B10
SCHEMBL8061708 0.94 TTR (0.41) TTRGAAKMT2AHDAC2ALDH1A1
SCHEMBL8043958 0.91 TTR (0.42) HTTTTRGAAKMT2AHSD17B10
SCHEMBL8407973 0.89 TTR (0.38) TTRKMT2ANPC1RAB9APOLB
SCHEMBL8409285 0.86 MAP3K7 (0.39) HTTTTRGAAKMT2AHSD17B10
SCHEMBL8043981 0.85 NPC1 (0.50) HTTTTRGAAHDAC6HDAC2
SCHEMBL8055374 0.84 TTR (0.44) TTRKMT2AALDH1A1NPC1RAB9A
SCHEMBL8043959 0.83 HDAC6 (0.43) HTTTTRGAAHDAC6HDAC2
SCHEMBL8406921 0.81 NPC1 (0.46) HTTTTRGAAHDAC6HDAC2
SCHEMBL8061717 0.81 TTR (0.42) HTTTTRGAAHDAC6HDAC2

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-0826511-B1 Heat sensitive recording material OJI PAPER CO (JP) 2000-05-24 EP disclosed
EP-0826511-A1 Heat sensitive recording material Oji Paper Co., Ltd. (JP) 1998-03-04 EP disclosed