SCHEMBL28368832

SCHEMBL28368832

CCOC(=O)CC(N)c1cccc(-c2ccc(OC)c(OC)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41
▸ TUBB8 Q3ZCM7 1/20 0.41
▸ TUBA3E Q6PEY2 1/20 0.41
▸ TUBA1A Q71U36 1/20 0.41
▸ TUBA1C Q9BQE3 1/20 0.41
▸ TUBB6 Q9BUF5 1/20 0.41
▸ TUBB2B Q9BVA1 1/20 0.41
▸ TUBB1 Q9H4B7 1/20 0.41
▸ HPGD P15428 3/20 0.41

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
SCHEMBL30541255 1.00 HTT (0.43) HTTALDH1A1MAPTL3MBTL1TUBB4A
SCHEMBL30541330 0.87 HPGD (0.46) HTTALDH1A1MAPTL3MBTL1HPGD
SCHEMBL30541473 0.87 CTSA (0.51) CTSA
SCHEMBL28372792 0.87 CTSA (0.51) CTSA
SCHEMBL28368868 0.87 HPGD (0.46) HTTALDH1A1MAPTL3MBTL1HPGD
SCHEMBL5742697 0.86 ACHE (0.50) HTTALDH1A1MAPTKDM4ENPSR1
SCHEMBL28372741 0.85 L3MBTL1 (0.47) ALDH1A1L3MBTL1HPGDKDM4ESMN1; SMN2
SCHEMBL30541418 0.85 L3MBTL1 (0.47) ALDH1A1L3MBTL1HPGDKDM4ESMN1; SMN2
SCHEMBL20546569 0.85 CTSA (0.50) SMN1; SMN2CTSA
SCHEMBL20546567 0.85 CTSA (0.50) SMN1; SMN2CTSA

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-110914242-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 — — CN disclosed
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