SCHEMBL11845170

SCHEMBL11845170

CCOC(=O)C(Cl)c1ccc(-c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ ALDH1A1 P00352 8/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ADAMTS4 O75173 1/20 0.44
▸ GAA P10253 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CACNA1D Q01668 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CES2 O00748 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ CES1 P23141 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
SCHEMBL11842360 0.86 HRH2 (0.50) HRH2HRH1ALDH1A1TDP1L3MBTL1
SCHEMBL11833045 0.82 HRH2 (0.46) HRH2HRH1ALDH1A1TDP1L3MBTL1
SCHEMBL11837622 0.81 PPARG (0.45) ALDH1A1TDP1L3MBTL1KDM4ERAB9A
SCHEMBL11790626 0.81 ALDH1A1 (0.60) ALDH1A1TDP1ADAMTS4MAPTLMNA
SCHEMBL11829891 0.81 HRH2 (0.46) HRH2HRH1ALDH1A1TDP1L3MBTL1
SCHEMBL11844271 0.80 MMP8 (0.38) ALDH1A1TDP1L3MBTL1KDM4ERAB9A
SCHEMBL11836185 0.80 GRM6 (0.42) ALDH1A1L3MBTL1KDM4EMAPTSMN1; SMN2
SCHEMBL11841890 0.80 ALDH1A1 (0.41) ALDH1A1TDP1L3MBTL1ADAMTS4KDM4E
SCHEMBL11842972 0.80 MAPT (0.51) HRH2HRH1ALDH1A1L3MBTL1GAA
SCHEMBL11839973 0.79 MMP8 (0.40) ALDH1A1TDP1L3MBTL1KDM4ERAB9A

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
US-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 — — US disclosed
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