SCHEMBL2848863

SCHEMBL2848863

CC(C)(C)c1cc(C(=Cc2ccccc2)C(=O)OCC(COC(=O)C(=Cc2ccccc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(COC(=O)C(=Cc2ccccc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)COC(=O)C(=Cc2ccccc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.51
GPR55 Q9Y2T6 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PTGS2 P35354 2/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.38
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
F2R P25116 2/20 0.37
AKR1C1 Q04828 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
SCHEMBL9616063 0.82 TNFRSF1A (0.46) TNFRSF1AGPR55MAPTMEN1KMT2A
SCHEMBL11306201 0.82 TNFRSF1A (0.61) TNFRSF1AGPR55MEN1KMT2APTGS2
SCHEMBL4353105 0.80 TNFRSF1A (0.53) TNFRSF1AGPR55MEN1KMT2APTGS2
SCHEMBL2848865 0.80 TNFRSF1A (0.53) TNFRSF1AGPR55MEN1KMT2APTGS2
1,6-Hexanediol SCHEMBL9720404 0.77 TNFRSF1A (0.52) TNFRSF1AGPR55MEN1KMT2APTGS2
SCHEMBL28388120 0.76 AKR1C1 (0.53) MAPTMEN1KMT2APTGS2MAPK1
SCHEMBL30421233 0.74 HMGCR (0.47) GPR55MAPTMEN1KMT2APTGS2
SCHEMBL2516209 0.73 LMNA (0.45) TNFRSF1AGPR55MAPTMEN1KMT2A
SCHEMBL10705024 0.72 SERPINE1 (0.56) TNFRSF1AMAPTMEN1KMT2APTGS2
SCHEMBL11307029 0.70 CYP3A4 (0.60) TNFRSF1AGPR55MAPTMEN1KMT2A

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-20100040806-A1 CELLULOSE ESTER OPTICAL FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY USING THE CELLULOSE ESTER OPTICAL FILM, AND METHOD FOR PRODUCING CELLULOSE ESTER OPTICAL FILM KONICA MINOLTA OPTO, INC. (JP) 2010-02-18 US disclosed