SCHEMBL8043958

SCHEMBL8043958

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.42
GAA P10253 3/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
PTGER4 P35408 1/20 0.38
TP53BP1 Q12888 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 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
SCHEMBL8409285 0.95 MAP3K7 (0.39) TTRGAAKMT2AHSD17B10HDAC6
SCHEMBL8055374 0.94 TTR (0.44) TTRKMT2AALDH1A1TP53POLB
SCHEMBL8043973 0.91 HTT (0.40) TTRGAAKMT2AHSD17B10HDAC6
SCHEMBL8409160 0.89 TTR (0.40) TTRKMT2ATP53LMNAPTGER4
SCHEMBL9408813 0.88 NPC1 (0.40) TTRKMT2AALDH1A1POLBLMNA
SCHEMBL8406942 0.86 MAP3K7 (0.39) TTRGAAKMT2AHSD17B10HDAC6
SCHEMBL8043981 0.86 NPC1 (0.50) TTRGAAHDAC6HDAC2HDAC8
SCHEMBL8061708 0.84 TTR (0.41) TTRGAAKMT2AHDAC2ALDH1A1
SCHEMBL8043959 0.84 HDAC6 (0.43) TTRGAAHDAC6HDAC2HDAC8
SCHEMBL8061717 0.83 TTR (0.42) TTRGAAHDAC6HDAC2HDAC8

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