Sugi Predict

Sugi Predict / Compounds / SCHEMBL25865959

SCHEMBL25865959

SCHEMBL25865959

CC1(C)c2cc(-c3cccc4c3C3(c5ccccc5O4)c4ccccc4-c4ccccc43)ccc2-c2cc3ccccc3cc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 13/20 0.34
▸ CTSD P07339 3/20 0.32
▸ BACE1 P56817 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 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
SCHEMBL25848312 0.91 PDK2 (0.34) PDK2CTSDBACE1KDM4EMAPK1
SCHEMBL25865870 0.91 PDK2 (0.34) PDK2CTSDBACE1KDM4EMAPK1
SCHEMBL25867823 0.90 PDK2 (0.35) PDK2CTSDBACE1KDM4EMAPK1
SCHEMBL25867758 0.88 PDK2 (0.34) PDK2CTSDBACE1KDM4EMAPK1
SCHEMBL25848159 0.88 PDK2 (0.34) PDK2CTSDBACE1KDM4EMAPK1
SCHEMBL25866242 0.88 PDK2 (0.36) PDK2
SCHEMBL25863797 0.87 PDK2 (0.33) PDK2
SCHEMBL25864154 0.87 PDK2 (0.35) PDK2
SCHEMBL25848528 0.86 KDM4E (0.33) KDM4EMAPK1ATM
SCHEMBL25849636 0.86 DRD1 (0.32) CTSDBACE1KDM4E

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
WO-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 — — WO disclosed