SCHEMBL31380288

SCHEMBL31380288

O=C(O)C(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SRC P12931 2/20 0.46
CYP2D6 P10635 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
CTSD P07339 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43

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
SCHEMBL31380294 0.82 CNR1 (0.40) TDP1HDAC3HDAC4HDAC1HDAC7
Diphenylacetic Acid SCHEMBL30803718 0.82 SRC (0.59) TDP1L3MBTL1SRCCYP2D6HDAC3
Diphenylacetic Acid SCHEMBL8513250 0.79 SRC (0.62) TDP1L3MBTL1SRCCYP2D6HDAC3
Diphenylacetic Acid SCHEMBL38022 0.79 SRC (0.62) TDP1L3MBTL1SRCCYP2D6HDAC3
Diphenylacetic Acid SCHEMBL8411440 0.77 SRC (0.59) TDP1L3MBTL1SRCCYP2D6HDAC3
Diphenylacetic Acid SCHEMBL9485695 0.77 SRC (0.59) TDP1L3MBTL1SRCCYP2D6HDAC3
Diphenylacetic Acid SCHEMBL9750917 0.77 SRC (0.59) TDP1L3MBTL1SRCCYP2D6HDAC3
Diphenylacetic Acid SCHEMBL418537 0.77 SRC (0.59) TDP1L3MBTL1SRCCYP2D6HDAC3
Diphenylacetic Acid SCHEMBL6852183 0.77 SRC (0.59) TDP1L3MBTL1SRCCYP2D6HDAC3
Diphenylacetic Acid SCHEMBL28446280 0.77 SRC (0.59) TDP1L3MBTL1SRCCYP2D6HDAC3

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-119707819-A Preparation method of pyrazolone amino acid ester derivative 福建师范大学 2025-03-28 CN disclosed