SCHEMBL7703908

SCHEMBL7703908

COc1cc2c(c(OS(=O)(=O)C(F)(F)F)c1OC)C(C(=O)OC(c1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1N2C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
DRD2 P14416 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 4/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31

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
SCHEMBL7699757 0.83 HDAC4 (0.34) HDAC4HDAC7HDAC5DRD2LMNA
SCHEMBL2996951 0.74 HDAC4 (0.44) HDAC4HDAC7HDAC5DRD2MEN1
SCHEMBL7796551 0.73 HDAC4 (0.32) HDAC4HDAC7HDAC5DRD2MEN1
SCHEMBL7795307 0.73 KMT2A (0.34) HDAC4HDAC7HDAC5DRD2MEN1
SCHEMBL7703633 0.72 PGR (0.41) HDAC4HDAC7HDAC5MEN1KMT2A
SCHEMBL7793796 0.71 ALDH1A1 (0.33) HDAC4HDAC7HDAC5DRD2MEN1
SCHEMBL5705543 0.70 DRD2 (0.39) HDAC4HDAC7HDAC5DRD2DRD1
SCHEMBL6256438 0.69 DRD2 (0.38) HDAC4HDAC7HDAC5DRD2MEN1
SCHEMBL7796579 0.69 DRD2 (0.38) HDAC4HDAC7HDAC5DRD2MEN1
SCHEMBL7793782 0.69 DRD2 (0.36) HDAC4HDAC7HDAC5DRD2DRD1

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