SCHEMBL29250274

SCHEMBL29250274

CC(=O)OC1N(C)c2ccccc2N1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NOX1 Q9Y5S8 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ NOTUM Q6P988 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SLC18A3 Q16572 1/20 0.35

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
SCHEMBL28536261 0.82 POLB (0.35) POLBHDAC4HDAC7HDAC5EGFR
SCHEMBL15170051 0.79 POLB (0.41) POLBALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL15169804 0.74 POLB (0.39) POLBTSHRKMT2A
SCHEMBL27342035 0.72 NOTUM (0.47) POLBGAANOTUMKMT2A
SCHEMBL31324048 0.71 PDGFRB (0.42) HDAC4HDAC7HDAC5EGFRALDH1A1
SCHEMBL28003023 0.70 HDAC4 (0.44) HDAC4HDAC7HDAC5EGFRALDH1A1
SCHEMBL28537633 0.68 MEN1 (0.45) POLBHDAC4HDAC7HDAC5EGFR
SCHEMBL28283765 0.68 HDAC4 (0.43) HDAC4HDAC7HDAC5EGFRALDH1A1
SCHEMBL15169718 0.68 ALDH1A1 (0.34) POLBALDH1A1GAALMNAKMT2A
SCHEMBL21250753 0.67 PDGFRB (0.46) HDAC4HDAC7HDAC5EGFRALDH1A1

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-116675603-A Method for catalytic recovery of waste polyester material by acetate ionic liquid 四川大学 2023-09-01 — — CN disclosed
Send feedback