SCHEMBL20765877

SCHEMBL20765877

CC(C)(C)OC(=O)N1CCC(=O)C[C@H]1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.35
NR1H2 P55055 2/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
ATM Q13315 2/20 0.34
PARP1 P09874 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
SCHEMBL17824126 1.00 KDM4E (0.37) KDM4EMAPTTHRBALDH1A1NR1H2
SCHEMBL19995843 0.88 KDM4E (0.39) KDM4EMAPTTHRBALDH1A1NR1H2
SCHEMBL23020680 0.82 MEN1 (0.33) ALDH1A1ATM
SCHEMBL23528096 0.81 USP2 (0.37) KDM4EMAPTTHRBNR1H2USP2
SCHEMBL4503706 0.81 USP2 (0.37) KDM4EMAPTTHRBNR1H2USP2
SCHEMBL432224 0.80 SETD7 (0.40) KDM4EMAPTTHRBNR1H2USP2
SCHEMBL1197830 0.80 SETD7 (0.40) KDM4EMAPTTHRBNR1H2USP2
SCHEMBL1197535 0.80 SETD7 (0.40) KDM4EMAPTTHRBNR1H2USP2
SCHEMBL585209 0.79 KDM4E (0.34) KDM4EMAPTTHRBALDH1A1NR1H2
SCHEMBL585012 0.79 KDM4E (0.34) KDM4EMAPTTHRBALDH1A1NR1H2

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-2019040106-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed