SCHEMBL30875142

SCHEMBL30875142

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.44
FBP1 P09467 3/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 6/20 0.42
CNR2 P34972 4/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RORC P51449 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
GPR174 Q9BXC1 1/20 0.38

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
SCHEMBL14035563 1.00 THRB (0.44) THRBFBP1ATMTDP1MAPT
SCHEMBL142930 0.90 THRB (0.44) THRBFBP1ATMTDP1MAPT
SCHEMBL112748 0.87 THRB (0.45) THRBFBP1ATMTDP1MAPT
SCHEMBL28566529 0.87 ATM (0.43) THRBFBP1ATMTDP1MAPT
SCHEMBL2300748 0.87 THRB (0.44) THRBFBP1ATMTDP1MAPT
SCHEMBL28537382 0.86 THRB (0.42) THRBFBP1ATMTDP1MAPT
SCHEMBL11152796 0.85 NPSR1 (0.46) THRBFBP1ATMTDP1MAPT
SCHEMBL4856254 0.85 NPSR1 (0.47) ATMTDP1CNR2ALDH1A1KMT2A
SCHEMBL3799754 0.84 THRB (0.52) THRBFBP1MAPTCNR2ALDH1A1
SCHEMBL3660772 0.82 MAPT (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117957212-A IL-17A modulators based on phenylacetamide and uses thereof 戴斯阿尔法公司 2024-04-30 CN disclosed