SCHEMBL8400745

SCHEMBL8400745

CCc1cc(CC(=O)OCCO)cc(C2(C)CCCCC2)c1OC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
ALOX5 P09917 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
CYP19A1 P11511 1/20 0.32
RARA P10276 2/20 0.32
RARB P10826 2/20 0.32
RARG P13631 2/20 0.32
TLR7 Q9NYK1 1/20 0.32
RAB9A P51151 1/20 0.32
S1PR1 P21453 1/20 0.31

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
SCHEMBL7941069 0.89 ALDH1A1 (0.37) KMT2AALDH1A1ALOX5RARARARB
SCHEMBL8397569 0.88 KMT2A (0.41) KMT2AL3MBTL1PTGDRPTGDR2MEN1
SCHEMBL7933973 0.86 GLA (0.40) KMT2APTGDRPTGDR2MEN1GAA
SCHEMBL8397560 0.85 KMT2A (0.39) KMT2AL3MBTL1PTGDRPTGDR2MEN1
SCHEMBL7792167 0.83 PTGDR (0.43) PTGDRPTGDR2ALDH1A1GAARARA
SCHEMBL6568848 0.82 RARB (0.36) KMT2APTGDRPTGDR2MEN1MAPT
SCHEMBL7933836 0.82 SLC29A1 (0.38) KMT2APTGDRPTGDR2MEN1SMN1; SMN2
SCHEMBL7944733 0.80 TNKS2 (0.37) PTGDRPTGDR2MAPTRARARARB
SCHEMBL8401559 0.80 RARA (0.47) KMT2AL3MBTL1PTGDRPTGDR2ALDH1A1
SCHEMBL7933829 0.78 GLA (0.38) KMT2APTGDRPTGDR2MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed