SCHEMBL29207076

SCHEMBL29207076

COc1ccc(OCC(=O)Oc2ccc(Br)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.73
▸ LMNA P02545 2/20 0.73
▸ TDP1 Q9NUW8 2/20 0.56
▸ MAPT P10636 5/20 0.56
▸ KMT2A Q03164 2/20 0.54
▸ RXFP1 Q9HBX9 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ TP53 P04637 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48

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
SCHEMBL24844739 0.85 GAA (0.76) GAALMNATDP1MAPTKMT2A
SCHEMBL24844736 0.85 GAA (0.76) GAALMNATDP1MAPTKMT2A
SCHEMBL24844742 0.83 GAA (0.73) GAALMNATDP1MAPTKMT2A
SCHEMBL4115419 0.82 PTGS2 (0.57) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1144017 0.80 MAPT (0.64) LMNATDP1MAPTKMT2ARXFP1
SCHEMBL29207098 0.80 MAPT (0.64) LMNATDP1MAPTKMT2ARXFP1
SCHEMBL8832017 0.78 GAA (0.66) GAALMNATDP1MAPTKMT2A
SCHEMBL12061812 0.78 GAA (0.66) GAALMNAMAPTKMT2AMEN1
SCHEMBL27283394 0.78 LMNA (0.66) GAALMNATDP1MAPTKMT2A
SCHEMBL28516840 0.76 MAPT (0.56) GAALMNAMAPTKMT2ARXFP1

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
CN-116375641-A C3-phenoxy substituted quinoline compound and synthetic method and application thereof 杭州师范大学 2023-07-04 — — CN disclosed
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