SCHEMBL25828196

SCHEMBL25828196

CC(C)(O)C(=O)c1ccc(CC(C(=O)N(CCO)CCO)C(=O)N(CCO)CCO)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 5/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
LDHA P00338 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
CYP4A11 Q02928 3/20 0.31
MDM2 Q00987 1/20 0.31
CYP4F2 P78329 2/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 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
SCHEMBL25828198 0.80 THRA (0.37) MLYCDTHRATHRBHDAC3HDAC1
SCHEMBL25828199 0.80 ALDH1A1 (0.50) THRATHRB
SCHEMBL25848368 0.77 MDM2 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3672078 0.75 ACHE (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3671007 0.74 SIGMAR1 (0.44) THRATHRBOPRM1
SCHEMBL3102250 0.72 OPRD1 (0.40) MLYCDOPRM1OPRD1
SCHEMBL9808693 0.72 CYP4A11 (0.57) THRATHRBCYP4A11CYP4F2
SCHEMBL154857 0.72 CYP4A11 (0.50) CYP4A11CYP4F2
SCHEMBL480503 0.71 EPHX2 (0.49) MLYCDTHRATHRBHDAC1HDAC6
SCHEMBL4561898 0.71 EGFR (0.40) MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023180075-A1 POLYMERIZABLE PHOTOINITIATORS ARKEMA FRANCE (FR) 2023-09-28 WO disclosed
EP-4249518-A1 POLYMERIZABLE PHOTOINITIATORS ARKEMA FRANCE (FR) 2023-09-27 EP disclosed
WO-2023126223-A1 POLYHYDROXYLATED PHOTOINITIATORS ARKEMA FRANCE (FR) 2023-07-06 WO disclosed
EP-4206183-A1 POLYHYDROXYLATED PHOTOINITIATORS ARKEMA FRANCE (FR) 2023-07-05 EP disclosed