SCHEMBL11112916

SCHEMBL11112916

CCOC(=O)CCC1Oc2ccc([N+](=O)[O-])cc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAOB P27338 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GLO1 Q04760 1/20 0.37

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
SCHEMBL11106971 0.90 MAPT (0.46) MAPTKDM4EIRAK4SMN1; SMN2ALDH1A1
SCHEMBL11107922 0.90 MAPT (0.43) MAPTKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL11108515 0.85 CYP1A2 (0.42) MAPTKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL11105073 0.84 ALDH1A1 (0.40) MAPTKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL11104931 0.83 ALDH1A1 (0.48) MAPTKDM4ECYP1A2CYP2C19ALDH1A1
SCHEMBL11104143 0.83 ALDH1A1 (0.40) MAPTCYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL11102036 0.83 MAPT (0.48) MAPTKDM4ECYP1A2SMN1; SMN2ALDH1A1
SCHEMBL11106321 0.83 ALDH1A1 (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11107250 0.82 ALDH1A1 (0.50) MAPTKDM4ESMN1; SMN2ALDH1A1TDP1
SCHEMBL11108113 0.80 POLB (0.39) MAPTCYP1A2CYP3A4CYP2D6CYP2C19

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-4463001-A ANTIULCER AGENTS FARMITALIA CARLO ERBA S.P.A. (IT) 1984-07-31 — — US disclosed
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