SCHEMBL25784653

SCHEMBL25784653

C=C(C)C(=O)OCCNC(=O)OCCOc1ccc(C2(c3ccc(OCCOC)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 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
SCHEMBL29447829 0.96 PDK2 (0.41) PDK2LMNATP53POLBAPEX1
SCHEMBL10233458 0.96 PDK2 (0.41) PDK2LMNATP53POLBAPEX1
SCHEMBL20411189 0.94 POLB (0.42) PDK2LMNATP53POLBAPEX1
SCHEMBL24469748 0.92 PDK2 (0.40) PDK2LMNATP53POLBAPEX1
SCHEMBL25784469 0.92 L3MBTL1 (0.39) PDK2LMNATP53POLBAPEX1
SCHEMBL25784463 0.90 PDK2 (0.37) PDK2LMNATP53POLBAPEX1
SCHEMBL22648236 0.88 PDK2 (0.35) PDK2LMNATP53POLBAPEX1
SCHEMBL30800968 0.87 POLB (0.48) PDK2LMNATP53POLBAPEX1
SCHEMBL157502 0.87 POLB (0.48) PDK2LMNATP53POLBAPEX1
SCHEMBL25784675 0.87 THRB (0.47) PDK2LMNATP53POLBMAPT

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-3966195-B1 FLUORENE DERIVATIZED MONOMERS AND POLYMERS FOR VOLUME BRAGG GRATINGS FACEBOOK TECH LLC (US) 2023-07-05 EP disclosed