SCHEMBL11299600

SCHEMBL11299600

CC(C)OC(=O)C(C)Oc1ccc(Oc2cnc3cc(F)ccc3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 4/20 0.52
LMNA P02545 4/20 0.52
CYP1A2 P05177 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CYP3A4 P08684 2/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
HIF1A Q16665 1/20 0.52
GMNN O75496 1/20 0.52
APEX1 P27695 1/20 0.52
PMP22 Q01453 1/20 0.52
HTT P42858 8/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
RAB9A P51151 3/20 0.39

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
SCHEMBL733453 0.90 MAPT (0.53) ALDH1A1MAPTLMNACYP1A2SMN1; SMN2
SCHEMBL10969382 0.89 ALDH1A1 (0.48) ALDH1A1MAPTLMNACYP1A2SMN1; SMN2
SCHEMBL8508358 0.88 ALDH1A1 (0.51) ALDH1A1MAPTLMNACYP1A2SMN1; SMN2
SCHEMBL9420221 0.88 ALDH1A1 (0.54) ALDH1A1MAPTLMNACYP1A2SMN1; SMN2
SCHEMBL9586772 0.87 ALDH1A1 (0.56) ALDH1A1MAPTLMNACYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL10947367 0.87 ALDH1A1 (0.53) ALDH1A1MAPTLMNACYP1A2SMN1; SMN2
SCHEMBL29393267 0.86 MAPT (0.58) ALDH1A1MAPTLMNACYP1A2SMN1; SMN2
SCHEMBL10973795 0.85 MAPT (0.45) ALDH1A1MAPTLMNACYP1A2SMN1; SMN2
SCHEMBL10839459 0.85 MAPT (0.44) ALDH1A1MAPTLMNACYP1A2SMN1; SMN2
SCHEMBL29413788 0.83 ALDH1A1 (0.60) ALDH1A1MAPTLMNACYP1A2SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56034672-A None JP disclosed
JP-S5634672-A QUINOXALINE DERIVATIVE AND HERBICIDE CONTAINING SAID DERIVATIVE AS EFFECTIVE COMPONENT NISSAN CHEM IND LTD 1981-04-06 JP disclosed