SCHEMBL11842360

SCHEMBL11842360

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.50
▸ HRH1 P35367 1/20 0.50
▸ ALDH1A1 P00352 7/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ADAMTS4 O75173 1/20 0.45
▸ GAA P10253 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CACNA1D Q01668 2/20 0.40
▸ SLC5A1 P13866 1/20 0.39
▸ SLC5A2 P31639 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
SCHEMBL11845170 0.86 HRH2 (0.49) HRH2HRH1ALDH1A1TDP1L3MBTL1
SCHEMBL11824022 0.82 HRH2 (0.46) HRH2HRH1ALDH1A1TDP1L3MBTL1
SCHEMBL11835254 0.81 PPARG (0.46) ALDH1A1TDP1L3MBTL1KDM4ERAB9A
SCHEMBL11842494 0.81 ALDH1A1 (0.62) ALDH1A1TDP1ADAMTS4MAPTLMNA
SCHEMBL11842785 0.80 MAPT (0.52) ALDH1A1L3MBTL1GAAKDM4ERAB9A
SCHEMBL11847061 0.80 MMP8 (0.39) ALDH1A1TDP1L3MBTL1KDM4ERAB9A
SCHEMBL11836617 0.80 CA12 (0.42) ALDH1A1TDP1L3MBTL1ADAMTS4KDM4E
SCHEMBL11833045 0.79 HRH2 (0.46) HRH2HRH1ALDH1A1TDP1L3MBTL1
SCHEMBL11790207 0.79 CASP1 (0.47) ALDH1A1L3MBTL1KDM4EMAPTSMN1; SMN2
SCHEMBL11837748 0.79 MAPT (0.49) ALDH1A1L3MBTL1MAPTLMNA

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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