SCHEMBL7702433

SCHEMBL7702433

CN1c2ccccc2C(C(=O)OC(C(F)(F)F)C(F)(F)F)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
ABHD6 Q9BV23 5/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
EGFR P00533 2/20 0.40
SRC P12931 1/20 0.40
HSD17B1 P14061 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MGLL Q99685 3/20 0.36
ACHE P22303 2/20 0.36
PLA2G7 Q13093 1/20 0.36
ALDH1A1 P00352 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34

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
SCHEMBL7697844 0.90 HDAC4 (0.42) HDAC4HDAC7HDAC5ABHD6MEN1
SCHEMBL7702518 0.89 PGR (0.43) HDAC4HDAC7HDAC5ABHD6MEN1
SCHEMBL7703961 0.88 ABHD6 (0.41) HDAC4HDAC7HDAC5ABHD6MEN1
SCHEMBL7702436 0.81 HDAC4 (0.48) HDAC4HDAC7HDAC5ABHD6MEN1
SCHEMBL7703290 0.80 ABHD6 (0.44) ABHD6MEN1KMT2AMAPTLMNA
SCHEMBL2992029 0.78 HDAC4 (0.67) HDAC4HDAC7HDAC5MEN1KMT2A
SCHEMBL38661846 0.78 HDAC4 (0.67) HDAC4HDAC7HDAC5MEN1KMT2A
SCHEMBL38665311 0.77 HDAC4 (0.50) HDAC4HDAC7HDAC5MEN1KMT2A
SCHEMBL14491000 0.77 HDAC4 (0.60) HDAC4HDAC7HDAC5MEN1KMT2A
SCHEMBL8332153 0.76 HDAC4 (0.49) 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