SCHEMBL12675469

SCHEMBL12675469

N#C/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.46
▸ MCL1 Q07820 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PRKAG1 P54619 2/20 0.39
▸ PRKAA1 Q13131 2/20 0.39
▸ PRKAB1 Q9Y478 2/20 0.39
▸ PLK1 P53350 2/20 0.39
▸ NEK2 P51955 1/20 0.39
▸ PRKAB2 O43741 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAG3 Q9UGI9 1/20 0.38
▸ PRKAG2 Q9UGJ0 1/20 0.38
▸ IDE P14735 1/20 0.37
▸ EGFR P00533 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
SCHEMBL24559440 0.94 BCHE (0.43) BCHEMCL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL10076808 0.85 ALDH1A1 (0.56) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL24484302 0.80 KDM4E (0.62) BCHEKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL25793345 0.80 KDM4E (0.62) BCHEKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL24845082 0.80 KDM4E (0.62) BCHEKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL24559356 0.79 ALDH1A1 (0.43) BCHEKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL25141853 0.77 KDM4E (0.58) BCHEKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL12675213 0.77 BCHE (0.58) BCHEMCL1PRKAG1PRKAA1PRKAB1
SCHEMBL12675214 0.77 BCHE (0.58) BCHEMCL1PRKAG1PRKAA1PRKAB1
SCHEMBL12675894 0.77 BCHE (0.58) BCHEMCL1PRKAG1PRKAA1PRKAB1

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-20110117295-A1 OPTICALLY ANISOTOPIC FILM, PROCESS FOR PRODUCING OPTICALLY ANISOTOPIC FILM, SUBSTRATE FOR LIQUID CRYSTAL CELL, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2011-05-19 — — US disclosed
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