SCHEMBL11304752

SCHEMBL11304752

CCCOC(=O)C(C)Oc1ccc(Oc2ccc3cc(F)ccc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ GMNN O75496 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SCN9A Q15858 3/20 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
SCHEMBL10915307 0.91 TSHR (0.46) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL11404881 0.87 MAPT (0.50) L3MBTL1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10839775 0.86 GAA (0.43) GAATDP1L3MBTL1MAPTTP53
SCHEMBL10839077 0.86 MAPT (0.42) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL10838863 0.84 CYP1A2 (0.43) GAATDP1MAPTALDH1A1LMNA
SCHEMBL10953475 0.84 MAPT (0.39) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL9587752 0.83 MAPT (0.45) L3MBTL1MAPTALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL10947196 0.83 CYP1A2 (0.43) GAATDP1MAPTALDH1A1LMNA
SCHEMBL10877255 0.82 TSHR (0.42) GAATDP1MAPTALDH1A1LMNA
SCHEMBL10840348 0.79 MAPT (0.41) GAATDP1L3MBTL1MAPTALDH1A1

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-56043269-A — — None — — JP disclosed
JP-S5643269-A QUINOLINE DERIVATIVE AND HERBICIDE CONTAINING THE SAME AS THE EFFECTIVE COMPONENT NISSAN CHEM IND LTD 1981-04-21 — — JP disclosed
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