SCHEMBL28537382

SCHEMBL28537382

CCOC(=O)C(C)(C(=O)O)c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
FBP1 P09467 3/20 0.41
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 6/20 0.40
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TTR P02766 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CES2 O00748 1/20 0.37
ACHE P22303 1/20 0.37
CES1 P23141 1/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL142930 0.94 THRB (0.44) THRBFBP1ATMTDP1MAPT
SCHEMBL11152796 0.89 NPSR1 (0.46) THRBFBP1ATMTDP1MAPT
SCHEMBL30875142 0.86 THRB (0.44) THRBFBP1ATMTDP1MAPT
SCHEMBL14035563 0.86 THRB (0.44) THRBFBP1ATMTDP1MAPT
SCHEMBL3714543 0.86 ATM (0.50) ATMTDP1MAPTALDH1A1SMN1; SMN2
SCHEMBL3714548 0.86 ATM (0.50) ATMTDP1MAPTALDH1A1SMN1; SMN2
SCHEMBL112748 0.84 THRB (0.45) THRBFBP1ATMTDP1MAPT
SCHEMBL11147475 0.84 SMN1; SMN2 (0.43) THRBATMTDP1MAPTALDH1A1
SCHEMBL2300748 0.84 THRB (0.44) THRBFBP1ATMTDP1MAPT
SCHEMBL28566529 0.84 ATM (0.43) THRBFBP1ATMTDP1MAPT

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
CN-112225657-B Preparation method of flurbiprofen 北京泰德制药股份有限公司 2023-07-04 CN claimed
CN-112225657-A Preparation method of flurbiprofen 北京泰德制药股份有限公司 2021-01-15 CN claimed
CN-112225657-B Preparation method of flurbiprofen 北京泰德制药股份有限公司 2023-07-04 CN disclosed
CN-112225657-A Preparation method of flurbiprofen 北京泰德制药股份有限公司 2021-01-15 CN disclosed