SCHEMBL4596232

SCHEMBL4596232

CCCC(c1cc(C(C)C)ccc1O)c1cc(C(C)C)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
HIF1A Q16665 2/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
RNASEH1 O60930 1/20 0.44
PTGS1 P23219 2/20 0.44
CACNA1C Q13936 2/20 0.44
TRPA1 O75762 1/20 0.44
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
ALOX15 P16050 3/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7201794 0.86 THRA (0.44) ALDH1A1GAAHIF1AALOX12HTT
SCHEMBL4594942 0.86 TRPA1 (0.48) ALDH1A1GAAHIF1AALOX12HTT
SCHEMBL4596216 0.83 TYR (0.45) GAAHTTPTGS1CACNA1CTRPA1
SCHEMBL4596473 0.79 ALOX15 (0.49) ALDH1A1HTTHSP90AB1ALOX15TP53
SCHEMBL5388682 0.79 RORC (0.58) ALDH1A1GAAHIF1AALOX12HTT
SCHEMBL31655440 0.78 ALOX12 (0.59) ALDH1A1GAAHIF1AALOX12HTT
SCHEMBL224395 0.78 ALOX12 (0.59) ALDH1A1GAAHIF1AALOX12HTT
SCHEMBL51005 0.78 CHRM1 (0.51) ALDH1A1GAAALOX12HTTPTGS1
SCHEMBL50884 0.77 ALOX12 (0.57) ALDH1A1GAAHIF1AALOX12HTT
SCHEMBL1838233 0.76 ALOX15 (0.47) ALDH1A1GAAHIF1AALOX12HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1437231-B1 DEVELOPER FOR THERMAL RECORDING MATERIAL AND THERMAL RECORDING MATERIALS API CORP (JP) 2008-01-09 EP disclosed
US-20040241598-A1 Developer for thermal recording material and thermal recording materials NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2004-12-02 US disclosed
EP-1437231-A1 DEVELOPER FOR THERMAL RECORDING MATERIAL AND THERMAL RECORDING MATERIALS API Corporation (JP) 2004-07-14 EP disclosed