SCHEMBL7699757

SCHEMBL7699757

CN1c2ccccc2C(C(=O)OC(c2ccccc2)(C(F)(F)F)C(F)(F)F)c2c1ccc(Cl)c2OS(=O)(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PGR P06401 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL7703908 0.83 HDAC4 (0.33) HDAC4HDAC7HDAC5LMNADRD2
SCHEMBL7703633 0.78 PGR (0.41) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7793782 0.74 DRD2 (0.36) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL2996951 0.74 HDAC4 (0.44) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7796561 0.73 FABP7 (0.38) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7796551 0.71 HDAC4 (0.32) HDAC4HDAC7HDAC5MAPTDRD2
SCHEMBL5705543 0.71 DRD2 (0.39) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7796579 0.71 DRD2 (0.38) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL6256438 0.71 DRD2 (0.38) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL8332153 0.70 HDAC4 (0.49) HDAC4HDAC7HDAC5EGFRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915851-B1 DIBENZODIHYDROPYRIDINECARBOXYLIC ESTERS AND THEIR USE IN CHEMILUMINESCENT ASSAY METHODS NEDERLANDEN STAAT (NL) 2002-03-20 EP disclosed
US-6030803-A FOR USE AS SUBSTRATE IN PEROXIDASE ASSAYS; ALPHA-CARBON ATOM OF THE ESTER ALKYL GROUP IS AN ALIPHATIC CARBON ATOM DE STAAT DER NEDERLANDEN, VERTEGENWOORDIGD DOOR DE MINISTER VAN WELZIJN, VOLKSGESZONHEID EN CULTUUR (NL) 2000-02-29 US disclosed