SCHEMBL31289388

SCHEMBL31289388

CC(=O)C=Cc1cc(Br)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.58
▸ LMNA P02545 1/20 0.58
▸ ERN1 O75460 1/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ CA12 O43570 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ AR P10275 2/20 0.53
▸ IAPP P10997 2/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ KMT2A Q03164 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ GAA P10253 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ HPGD P15428 2/20 0.46

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
SCHEMBL31238165 0.85 ERN1 (0.60) MAPTERN1HSP90AA1MAPK1NPSR1
SCHEMBL3864314 0.84 ERN1 (0.58) MAPTLMNAERN1HSP90AA1MAPK1
SCHEMBL3864311 0.84 ERN1 (0.58) MAPTLMNAERN1HSP90AA1MAPK1
SCHEMBL30353437 0.82 ERN1 (0.56) MAPTERN1HSP90AA1MAPK1NPSR1
SCHEMBL13636232 0.82 ERN1 (0.56) MAPTERN1HSP90AA1MAPK1NPSR1
SCHEMBL19813877 0.82 ERN1 (0.56) MAPTERN1HSP90AA1MAPK1NPSR1
SCHEMBL26601267 0.81 MAPT (0.67) MAPTLMNAIAPPPTGS1KMT2A
SCHEMBL10851425 0.81 IAPP (0.55) MAPTERN1HSP90AA1MAPK1NPSR1
SCHEMBL10851420 0.81 IAPP (0.55) MAPTERN1HSP90AA1MAPK1NPSR1
SCHEMBL11343002 0.80 ERN1 (0.68) MAPTLMNAERN1HSP90AA1MAPK1

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
CN-119219585-A 3-Oxo propyl-2, 3-dihydrobenzofuran derivative with antibacterial activity, and preparation method and application thereof 陕西科技大学 2024-12-31 — — CN claimed
CN-119219585-A 3-Oxo propyl-2, 3-dihydrobenzofuran derivative with antibacterial activity, and preparation method and application thereof 陕西科技大学 2024-12-31 — — CN disclosed
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