SCHEMBL31010503

SCHEMBL31010503

CC(C)(C)c1cccc(OP(=O)(O)Oc2cccc(C(C)(C)C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.45
HDAC8 Q9BY41 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
SOD1 P00441 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SRC P12931 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
PGK1 P00558 2/20 0.39
PGK2 P07205 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
HDAC3 O15379 1/20 0.39

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
SCHEMBL27457087 0.90 ACHE (0.44) ACHEHDAC8HDAC4HDAC2SOD1
SCHEMBL12341192 0.89 SRC (0.53) ACHEHDAC8HDAC4HDAC2SOD1
SCHEMBL1786941 0.85 SOD1 (0.45) ACHEHDAC8HDAC4HDAC2SOD1
Tert-Butylbenzene SCHEMBL28277771 0.84 SRC (0.53) SRCALDH1A1POLBL3MBTL1
SCHEMBL5862979 0.83 ALDH1A1 (0.49) SRCALDH1A1POLBL3MBTL1
SCHEMBL19056330 0.82 APEX1 (0.38) ACHEHDAC8HDAC4HDAC2CYP2C19
SCHEMBL3396886 0.81 L3MBTL1 (0.45) ACHEHDAC8HDAC4HDAC2SOD1
SCHEMBL1787920 0.81 L3MBTL1 (0.45) ACHEHDAC8HDAC4HDAC2SOD1
SCHEMBL3400425 0.81 SOD1 (0.42) ACHEHDAC8HDAC4HDAC2SOD1
SCHEMBL1787386 0.81 SOD1 (0.42) ACHEHDAC8HDAC4HDAC2SOD1

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-118406081-A Method for purifying diphenyl phosphate from mixed phenyl phosphate 中南大学 2024-07-30 CN disclosed