SCHEMBL30157726

SCHEMBL30157726

Cc1ccc(CN2C(=O)CCC2CC(=O)OCC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.51
▸ GAA P10253 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ USP2 O75604 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL30157642 0.85 KMT2A (0.52) KMT2AGAAALDH1A1KDM4EMAPT
SCHEMBL30158662 0.84 KMT2A (0.59) KMT2AGAAALDH1A1KDM4EMAPT
SCHEMBL30157747 0.84 KMT2A (0.51) KMT2AGAAALDH1A1KDM4EMAPT
SCHEMBL30157673 0.83 KMT2A (0.50) KMT2AGAAALDH1A1KDM4EMAPT
SCHEMBL30157345 0.83 KMT2A (0.50) KMT2AGAAALDH1A1KDM4EMAPT
SCHEMBL30157859 0.83 KMT2A (0.50) KMT2AGAAALDH1A1KDM4EMAPT
SCHEMBL30157974 0.82 KMT2A (0.45) KMT2AGAAALDH1A1KDM4EMAPT
SCHEMBL30157847 0.82 KMT2A (0.49) KMT2AGAAALDH1A1KDM4EMAPT
SCHEMBL30157524 0.81 KMT2A (0.53) KMT2AGAAALDH1A1KDM4EMAPT
SCHEMBL30158532 0.80 KMT2A (0.56) KMT2AGAAALDH1A1KDM4EMAPT

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
WO-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 — — WO disclosed
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