SCHEMBL2848865

SCHEMBL2848865

CC(C)(C)c1cc(C(=Cc2ccccc2)C(=O)O)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(C(=Cc2ccccc2)C(=O)O)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(C(=Cc2ccccc2)C(=O)O)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(C(=Cc2ccccc2)C(=O)O)cc(C(C)(C)C)c1O.OCC(CO)(CO)CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.53
AKR1C1 Q04828 3/20 0.49
AKR1C3 P42330 2/20 0.43
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
AKR1C2 P52895 2/20 0.41
PTGS2 P35354 2/20 0.41
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
GPR55 Q9Y2T6 1/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
GAA P10253 1/20 0.39
F2R P25116 2/20 0.38

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
SCHEMBL4353105 1.00 TNFRSF1A (0.53) TNFRSF1AAKR1C1AKR1C3GABBR2GABBR1
SCHEMBL11306201 0.92 TNFRSF1A (0.61) TNFRSF1AAKR1C1AKR1C3GABBR2GABBR1
1,6-Hexanediol SCHEMBL9720404 0.89 TNFRSF1A (0.52) TNFRSF1AAKR1C1AKR1C3GABBR2GABBR1
SCHEMBL2848863 0.80 TNFRSF1A (0.51) TNFRSF1AAKR1C1GABBR2GABBR1MEN1
SCHEMBL11510057 0.76 GLRA3 (0.52) TNFRSF1AGABBR2GABBR1MEN1KMT2A
SCHEMBL10705030 0.76 GLRA3 (0.52) TNFRSF1AGABBR2GABBR1MEN1KMT2A
SCHEMBL11307029 0.75 CYP3A4 (0.60) TNFRSF1AAKR1C3GABBR2GABBR1MEN1
SCHEMBL11300871 0.74 GABBR2 (0.51) TNFRSF1AGABBR2GABBR1MEN1KMT2A
SCHEMBL11300882 0.74 GABBR2 (0.51) TNFRSF1AGABBR2GABBR1MEN1KMT2A
SCHEMBL2516211 0.74 LMNA (0.46) TNFRSF1AGABBR2GABBR1MEN1KMT2A

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