SCHEMBL10780596

SCHEMBL10780596

ON=Cc1ccc(O)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.50
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ESR1 P03372 5/20 0.38
ESR2 Q92731 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TTR P02766 1/20 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
SCHEMBL10780595 1.00 MIF (0.50) MIFGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10824149 1.00 MIF (0.50) MIFGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4898367 0.85 KIF11 (0.47) MIFGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4898359 0.85 KIF11 (0.47) MIFGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24885801 0.83 LMNA (0.39) MIFMAPTTSHRHTTHSD17B10
SCHEMBL30078241 0.83 LMNA (0.39) MIFMAPTTSHRHTTHSD17B10
SCHEMBL1931856 0.81 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29775672 0.81 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1931859 0.81 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2928249 0.81 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61033159-A None JP disclosed
EP-0155792-B1 BENZOATE DERIVATIVES HAVING POSITIVE DIELECTRIC ANISOTROPY AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM Chisso Corporation (JP) 1987-06-16 EP disclosed
US-4661283-A Benzoate derivatives having a large positive dielectric anisotropy value and liquid crystal compositions containing same CHISSO CORPORATION (JP) 1987-04-28 US disclosed
JP-S6133159-A CYANOPHENYL ESTER DERIVATIVE CHISSO CORP 1986-02-17 JP disclosed
EP-0155792-A1 Benzoate derivatives having positive dielectric anisotropy and liquid crystal compositions containing them Chisso Corporation (JP) 1985-09-25 EP disclosed