SCHEMBL30157673

SCHEMBL30157673

Cc1ccc(CN2C(=O)CCC2CC(=O)OCCOc2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.50
▸ GAA P10253 2/20 0.44
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ HCRTR1 O43613 2/20 0.41
▸ HCRTR2 O43614 2/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30157549 0.96 KMT2A (0.47) KMT2AGAAHDAC1HDAC2ALDH1A1
SCHEMBL30157516 0.96 KMT2A (0.47) KMT2AGAAHDAC1HDAC2ALDH1A1
SCHEMBL30157962 0.95 GAA (0.51) KMT2AGAAHDAC1HDAC2MAPT
SCHEMBL30158564 0.95 KMT2A (0.46) KMT2AGAAHDAC1HDAC2ALDH1A1
SCHEMBL30157908 0.95 KMT2A (0.47) KMT2AGAAHDAC1HDAC2ALDH1A1
SCHEMBL30158505 0.94 HDAC1 (0.46) KMT2AGAAHDAC1HDAC2ALDH1A1
SCHEMBL30157341 0.94 KMT2A (0.45) KMT2AGAAHDAC1HDAC2ALDH1A1
SCHEMBL30157974 0.94 KMT2A (0.45) KMT2AGAAHDAC1HDAC2ALDH1A1
SCHEMBL30157677 0.92 KMT2A (0.46) KMT2AGAAHDAC1HDAC2ALDH1A1
SCHEMBL30157973 0.91 KMT2A (0.45) KMT2AGAAHDAC1HDAC2ALDH1A1

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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