SCHEMBL22989413

SCHEMBL22989413

CC(C)C(=O)c1ccc2c(c1)C(C)(C)c1cc(C(=O)C(C)(C)O)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ DBH P09172 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ PDK2 Q15119 6/20 0.33
▸ CHRNA1 P02708 3/20 0.32
▸ CHRNG P07510 3/20 0.32
▸ CHRNB1 P11230 3/20 0.32
▸ CHRNB2 P17787 3/20 0.32
▸ SLC6A2 P23975 3/20 0.32
▸ CHRNB4 P30926 3/20 0.32
▸ CHRNA3 P32297 3/20 0.32
▸ CHRNA4 P43681 3/20 0.32
▸ SLC6A3 Q01959 3/20 0.32
▸ CHRND Q07001 3/20 0.32
▸ SLC6A4 P31645 2/20 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
SCHEMBL22355338 0.89 PDK2 (0.39) PDK2
SCHEMBL22355349 0.82 PDK2 (0.47) PDK2
SCHEMBL22355348 0.81 KDM4E (0.45) KDM4EDBHGAARECQLPDK2
SCHEMBL13785367 0.77 GAA (0.46) KDM4EDBHGAARECQLCHRNA1
SCHEMBL14073423 0.75 PDK2 (0.38) PDK2
SCHEMBL21617582 0.73 KDM4E (0.35) KDM4EDBHGAARECQL
SCHEMBL22355385 0.73 PDK2 (0.37) PDK2
SCHEMBL17559567 0.73 CTNNB1 (0.34) —
SCHEMBL29446112 0.72 KDM4E (0.43) KDM4EDBHGAARECQL
SCHEMBL17559558 0.71 KDM4E (0.47) KDM4EDBHGAARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3392232-B1 FLUORENE MULTIFUNCTIONAL PHOTOINITIATOR AND PREPARATION AND USE THEREOF, AND PHOTOSENSITIVE RESIN COMPOSITION CONTAINING FLUORENE PHOTOINITIATOR AND USE THEREOF CHANGZHOU TRONLY ADVANCED ELECTRONIC MAT CO LTD (CN) 2021-02-17 — — EP disclosed
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