SCHEMBL30158505

SCHEMBL30158505

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.42
▸ PTGER4 P35408 4/20 0.40
▸ PTGER2 P43116 4/20 0.40
▸ PTGER3 P43115 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HDAC3 O15379 1/20 0.38

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
SCHEMBL30157673 0.94 KMT2A (0.50) HDAC1HDAC2KMT2AHDAC6GAA
SCHEMBL30157908 0.91 KMT2A (0.47) HDAC1HDAC2KMT2AHDAC6GAA
SCHEMBL30157677 0.90 KMT2A (0.46) HDAC1HDAC2KMT2AHDAC6GAA
SCHEMBL30157516 0.90 KMT2A (0.47) HDAC1HDAC2KMT2AGAAHTT
SCHEMBL30157549 0.90 KMT2A (0.47) HDAC1HDAC2KMT2AGAAALDH1A1
SCHEMBL30157962 0.89 GAA (0.51) HDAC1HDAC2KMT2AGAAMAPT
SCHEMBL30158564 0.89 KMT2A (0.46) HDAC1HDAC2KMT2AHDAC6GAA
SCHEMBL30157974 0.88 KMT2A (0.45) HDAC1HDAC2KMT2APTGER2GAA
SCHEMBL30157341 0.88 KMT2A (0.45) HDAC1HDAC2KMT2AHDAC6GAA
SCHEMBL30157973 0.86 KMT2A (0.45) HDAC1HDAC2KMT2AGAAHTT

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
Send feedback