SCHEMBL28976869

SCHEMBL28976869

O=C1C=C(c2ccc(C(F)(F)F)cc2)C(=O)N1CC1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EBP Q15125 6/20 0.46
KCNH2 Q12809 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
RIPK3 Q9Y572 1/20 0.38
BACE1 P56817 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CD274 Q9NZQ7 1/20 0.35
GLP1R P43220 3/20 0.35
TRPV1 Q8NER1 1/20 0.35
CSF1R P07333 1/20 0.35

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
SCHEMBL28976625 0.86 RIPK3 (0.47) EBPCNR1CNR2RIPK3IDO1
SCHEMBL28976862 0.86 RIPK3 (0.41) CNR1CNR2RIPK3BACE1HDAC1
SCHEMBL28976871 0.84 MTOR (0.43) CNR1CNR2BACE1
SCHEMBL28976813 0.84 LMNA (0.39) EBPKCNH2CNR1CNR2BACE1
SCHEMBL28976755 0.83 RGS4 (0.44) CNR1CNR2RIPK3BACE1HDAC1
SCHEMBL30272719 0.83 EBP (0.43) EBPKCNH2CNR1CNR2RIPK3
SCHEMBL28976612 0.81 CNR2 (0.40) EBPCNR1CNR2BACE1CD274
SCHEMBL28976895 0.81 BACE1 (0.51) KCNH2CNR1CNR2RIPK3BACE1
SCHEMBL28976796 0.80 EBP (0.43) EBPKCNH2CNR1CNR2RIPK3
SCHEMBL28976683 0.78 CTSD (0.33) CNR1CNR2BACE1

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
CN-115703761-A Compound as WWP1 inhibitor and application thereof 首药控股(北京)股份有限公司 2023-02-17 CN disclosed