SCHEMBL30157677

SCHEMBL30157677

COC(=O)c1ccc(OCCOC(=O)CC2CCC(=O)N2Cc2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ MAPT P10636 5/20 0.45
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTT P42858 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
SCHEMBL30157673 0.92 KMT2A (0.50) KMT2AMAPTHDAC1HDAC2KDM4E
SCHEMBL30158505 0.90 HDAC1 (0.46) KMT2AMAPTHDAC1HDAC2KDM4E
SCHEMBL30157516 0.90 KMT2A (0.47) KMT2AMAPTHDAC1HDAC2KDM4E
SCHEMBL30157549 0.88 KMT2A (0.47) KMT2AMAPTHDAC1HDAC2RAB9A
SCHEMBL30157962 0.87 GAA (0.51) KMT2AMAPTHDAC1HDAC2MEN1
SCHEMBL30158564 0.87 KMT2A (0.46) KMT2AMAPTHDAC1HDAC2KDM4E
SCHEMBL30157908 0.87 KMT2A (0.47) KMT2AMAPTHDAC1HDAC2RAB9A
SCHEMBL30157974 0.87 KMT2A (0.45) KMT2AMAPTHDAC1HDAC2MEN1
SCHEMBL30157341 0.87 KMT2A (0.45) KMT2AMAPTHDAC1HDAC2KDM4E
SCHEMBL30157747 0.85 KMT2A (0.51) KMT2AMAPTHDAC1HDAC2KDM4E

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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