SCHEMBL11833045

SCHEMBL11833045

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ ADAMTS4 O75173 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ CACNA1D Q01668 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP4F2 P78329 1/20 0.37
▸ CYP4A11 Q02928 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.36

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
SCHEMBL11824022 0.88 HRH2 (0.46) HRH2HRH1ALDH1A1TDP1L3MBTL1
SCHEMBL11827539 0.87 PTPN1 (0.42) HRH2HRH1ALDH1A1TDP1L3MBTL1
SCHEMBL11839171 0.83 ALDH1A1 (0.53) HRH2HRH1ALDH1A1TDP1PTPN1
SCHEMBL11845170 0.82 HRH2 (0.49) HRH2HRH1ALDH1A1TDP1L3MBTL1
SCHEMBL11835413 0.82 PTPN1 (0.42) ALDH1A1L3MBTL1PTPN1MAPTKDM4E
SCHEMBL10347130 0.81 MAPT (0.55) ALDH1A1TDP1L3MBTL1MAPTKDM4E
SCHEMBL11828483 0.81 PTPN1 (0.46) ALDH1A1L3MBTL1PTPN1MAPTKDM4E
SCHEMBL11828669 0.79 HRH2 (0.48) HRH2HRH1ALDH1A1TDP1L3MBTL1
SCHEMBL11842360 0.79 HRH2 (0.50) HRH2HRH1ALDH1A1TDP1L3MBTL1
SCHEMBL11828776 0.78 HRH2 (0.46) HRH2HRH1ALDH1A1TDP1L3MBTL1

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-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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