SCHEMBL22989376

SCHEMBL22989376

CCc1cc(C)ccc1-c1ccc(C(=O)C(C)(O)CCC(C)(O)C(=O)c2ccc3c(c2)C(C)(C)c2cc(C)ccc2-3)cc1CC

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.32
▸ POR P16435 1/20 0.32
▸ PDK2 Q15119 4/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ RXRA P19793 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
SCHEMBL22355343 0.93 PDK2 (0.35) PDK2KDM4EMEN1MAPTHTT
SCHEMBL22355338 0.73 PDK2 (0.39) PDK2MAPTRXRA
SCHEMBL23805901 0.69 ALDH1A1 (0.50) KDM4EHTT
SCHEMBL16807038 0.69 ALDH1A1 (0.55) MAPTHTT
SCHEMBL14073423 0.69 PDK2 (0.38) PDK2MAPT
SCHEMBL22989413 0.68 KDM4E (0.41) PDK2KDM4E
SCHEMBL4368315 0.67 PDK2 (0.46) PDK2KDM4EMEN1MAPTHTT
SCHEMBL22355349 0.67 PDK2 (0.47) PDK2
SCHEMBL18900444 0.67 PDK2 (0.41) PDK2HTR7HTR2B
SCHEMBL22745258 0.66 CA2 (0.33) PDK2

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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