SCHEMBL11828776

SCHEMBL11828776

CCOC(=O)CC(Cl)Cc1ccc(-c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

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
▸ ADAMTS4 O75173 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ F9 P00740 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ CACNA1D Q01668 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MMEL1 Q495T6 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
SCHEMBL11829788 0.87 PDCD1 (0.40) ALDH1A1TDP1KDM4E
SCHEMBL11827360 0.83 ALDH1A1 (0.53) ALDH1A1TDP1ADAMTS4
SCHEMBL11829173 0.82 MAPT (0.52) ALDH1A1MAPTKDM4ERAB9ALMNA
SCHEMBL11844624 0.82 MME (0.46) ALDH1A1MAPTL3MBTL1KDM4ELMNA
SCHEMBL4657923 0.81 MAPK1 (0.46) ALDH1A1MAPTL3MBTL1KDM4ERAB9A
SCHEMBL11823414 0.81 SRR (0.49) ALDH1A1LMNAGAAMMEL1
SCHEMBL11829891 0.79 HRH2 (0.46) HRH2HRH1ALDH1A1TDP1ADAMTS4
SCHEMBL11845170 0.78 HRH2 (0.49) HRH2HRH1ALDH1A1TDP1ADAMTS4
SCHEMBL11833045 0.78 HRH2 (0.46) HRH2HRH1ALDH1A1TDP1ADAMTS4
SCHEMBL11835523 0.76 TSHR (0.45) ALDH1A1TDP1MAPTKDM4ERAB9A

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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