SCHEMBL28536261

SCHEMBL28536261

CC=CN1c2ccccc2N(C)C1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.35
▸ GAA P10253 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NOTUM Q6P988 1/20 0.30
▸ PTPN2 P17706 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30

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
SCHEMBL29250274 0.82 POLB (0.44) POLBGAAALDH1A1MAPTPKM
SCHEMBL15170051 0.65 POLB (0.41) POLBALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL27342035 0.62 NOTUM (0.47) POLBGAANOTUMMEN1KMT2A
SCHEMBL31324048 0.61 PDGFRB (0.42) GAAALDH1A1EGFRHDAC4HDAC7
SCHEMBL28003023 0.60 HDAC4 (0.44) GAAALDH1A1EGFRHDAC4HDAC7
SCHEMBL15169804 0.60 POLB (0.39) POLBTSHRMEN1ALOX15MAPK1
SCHEMBL28138277 0.60 PDGFRB (0.38) GAAALDH1A1PKMEGFRHDAC4
Acetic Acid SCHEMBL28536263 0.58 NOTUM (0.33) GAAALDH1A1MAPTTRPA1NPC1
SCHEMBL28537633 0.58 MEN1 (0.45) POLBGAAALDH1A1MAPTPKM
SCHEMBL28283765 0.58 HDAC4 (0.43) ALDH1A1MAPTEGFRHDAC4HDAC7

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-112538050-A Preparation method of cellulose solution 沧州硕金生物科技有限公司 2021-03-23 — — CN disclosed
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