SCHEMBL5680244

SCHEMBL5680244

Cc1cc(C)cc(COC(=O)c2ccccc2OCc2cc(C)cc(C)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
PARP1 P09874 2/20 0.50
AKR1C1 Q04828 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SGMS2 Q8NHU3 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
PTGER1 P34995 1/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
EGFR P00533 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL8425730 0.89 HTT (0.56) HTTPARP1AKR1C1MEN1KMT2A
SCHEMBL10692624 0.88 HTT (0.47) HTTPARP1AKR1C1MEN1KMT2A
Zinc Ion SCHEMBL9784446 0.87 PARP1 (0.51) HTTPARP1AKR1C1MEN1KMT2A
SCHEMBL8415759 0.87 HTT (0.59) HTTPARP1MEN1KMT2ASMN1; SMN2
SCHEMBL5680240 0.85 APEX1 (0.58) HTTPARP1AKR1C1MEN1KMT2A
SCHEMBL8424385 0.84 HTT (0.46) HTTPARP1AKR1C1MEN1KMT2A
SCHEMBL9784448 0.84 APEX1 (0.57) HTTPARP1AKR1C1MEN1KMT2A
SCHEMBL4415350 0.83 HTT (0.75) HTTPARP1MEN1KMT2ASMN1; SMN2
SCHEMBL9574717 0.81 HTT (0.73) HTTPARP1MEN1KMT2ASMN1; SMN2
SCHEMBL340937 0.79 HTT (0.69) HTTMEN1KMT2ASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1291196-B1 Heat-sensitive recording material FUJI PHOTO FILM CO LTD (JP) 2006-06-21 EP disclosed
EP-1622858-A2 HEAT SENSITIVE RECORDING MATERIAL Ciba SC Holding AG (CH) 2006-02-08 EP disclosed
US-6890880-B2 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 2005-05-10 US disclosed
WO-2004099116-A2 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 WO disclosed
US-20030087758-A1 Heat-sensitive recording material FUJI PHOTO FIL CO., LTD. 2003-05-08 US disclosed
EP-1291196-A2 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 2003-03-12 EP disclosed