SCHEMBL9808116

SCHEMBL9808116

C=COCCOc1ccc(OCCOC=C)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ KDM4E B2RXH2 6/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ INPPL1 O15357 1/20 0.33

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
SCHEMBL9808186 0.84 LMNA (0.37) LMNAMAPK1HTTALDH1A1GAA
SCHEMBL9416187 0.80 INPPL1 (0.42) LMNAMAPK1HTTALDH1A1KDM4E
SCHEMBL9808037 0.80 TDP1 (0.46) LMNAKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL278552 0.79 LMNA (0.42) LMNAMAPK1HTTALDH1A1GAA
SCHEMBL10458624 0.78 S1PR1 (0.41) LMNAMAPK1HTTALDH1A1GAA
SCHEMBL11789508 0.76 KDM4E (0.49) LMNAALDH1A1GAAKDM4EMEN1
SCHEMBL419937 0.74 THRB (0.41) MAPK1HTTALDH1A1KDM4EMAPT
SCHEMBL10338882 0.73 ALDH1A1 (0.41) LMNAMAPK1ALDH1A1KDM4EMEN1
SCHEMBL7711452 0.73 CYP1A2 (0.41) LMNAMAPK1HTTALDH1A1GAA
SCHEMBL905336 0.72 KDM4E (0.41) ALDH1A1GAAKDM4EMEN1KMT2A

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
JP-2134287-A — — None — — JP disclosed
US-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 — — US disclosed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 — — EP disclosed
JP-H02134287-A THERMAL RECORDING MATERIAL KANZAKI PAPER MFG CO LTD 1990-05-23 — — JP disclosed
Send feedback