SCHEMBL7703633

SCHEMBL7703633

CN1c2ccccc2C(C(=O)OC(c2ccccc2)(C(F)(F)F)C(F)(F)F)c2cc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
EGFR P00533 2/20 0.35
SRC P12931 1/20 0.35
HTR2B P41595 1/20 0.34
PDE4D Q08499 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
HRH2 P25021 1/20 0.33
HSD17B1 P14061 1/20 0.32
LMNA P02545 2/20 0.32
OPRK1 P41145 1/20 0.32
PDE3A Q14432 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RBP4 P02753 1/20 0.32

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
SCHEMBL7702581 0.88 PGR (0.43) PGRHDAC4HDAC7HDAC5EGFR
SCHEMBL7702521 0.85 PGR (0.41) PGRHDAC4HDAC7HDAC5EGFR
SCHEMBL11780985 0.81 HDAC4 (0.52) PGRHDAC4HDAC7HDAC5EGFR
SCHEMBL7702518 0.80 PGR (0.43) PGRHDAC4HDAC7HDAC5EGFR
SCHEMBL7699757 0.78 HDAC4 (0.34) PGRHDAC4HDAC7HDAC5EGFR
SCHEMBL38665311 0.75 HDAC4 (0.50) PGRHDAC4HDAC7HDAC5EGFR
SCHEMBL11776203 0.74 HDAC4 (0.52) PGRHDAC4HDAC7HDAC5EGFR
SCHEMBL7702436 0.73 HDAC4 (0.48) PGRHDAC4HDAC7HDAC5EGFR
SCHEMBL7697846 0.72 HDAC4 (0.40) PGRHDAC4HDAC7HDAC5EGFR
SCHEMBL7703908 0.72 HDAC4 (0.33) HDAC4HDAC7HDAC5MEN1KMT2A

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