SCHEMBL28622784

SCHEMBL28622784

CCCC(C#N)(CCC)C(=O)OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL18671972 0.81
SCHEMBL28063767 0.79 MEN1 (0.36) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL7722774 0.77 MEN1 (0.52) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL15268906 0.76 DGAT1 (0.36) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL28631996 0.76 MEN1 (0.38) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL6063663 0.74 LMNA (0.41) LMNAMEN1KMT2ATSHR
SCHEMBL27810381 0.73 TSHR (0.34) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL28626937 0.73 ALDH1A1 (0.44) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL10087895 0.72 ELANE (0.43) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL17133402 0.72 LMNA (0.39) LMNAMEN1KMT2ATSHRALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113200844-A Preparation method of sodium valproate 上海青平药业有限公司 2021-08-03 CN claimed
CN-114763319-A Method for co-producing valproamide and sodium valproate 湖南大学 2022-07-19 CN disclosed
CN-113200844-A Preparation method of sodium valproate 上海青平药业有限公司 2021-08-03 CN disclosed