SCHEMBL9540659

SCHEMBL9540659

CCCC(=O)C(Cc1ccc(-c2ccccc2[N+](=O)[O-])cc1)C(=O)COCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADAMTS4 O75173 1/20 0.39
PTGES O14684 2/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
BCL2 P10415 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
PPARA Q07869 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
PPARG P37231 1/20 0.35
KDM4A O75164 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 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
SCHEMBL9149746 0.94 ALDH1A1 (0.39) ALDH1A1TDP1ADAMTS4PTGESMAPT
SCHEMBL8979749 0.81 LTB4R2 (0.48)
SCHEMBL8979756 0.76 FFAR1 (0.49) PPARA
SCHEMBL8979799 0.76 LTB4R2 (0.53)
SCHEMBL8979895 0.70 LTB4R2 (0.49)
SCHEMBL9525532 0.70 HRH2 (0.40) ALDH1A1TDP1ADAMTS4MEN1KMT2A
SCHEMBL9525529 0.70 HRH2 (0.40) ALDH1A1TDP1ADAMTS4MEN1KMT2A
SCHEMBL8315064 0.70 FFAR1 (0.54) PPARAPPARG
SCHEMBL9248333 0.69 FFAR1 (0.48) ALDH1A1TDP1MAPT
SCHEMBL17203007 0.69 MMP8 (0.59) ALDH1A1TDP1MAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993005025-A1 C-LINKED PYRAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-03-18 WO disclosed
EP-0446062-A1 C-Linked pyrazole derivatives GLAXO GROUP LIMITED (GB) 1991-09-11 EP disclosed