Pivalate

Pivalate

SCHEMBL30459872

CC(C)(C)C(=O)O.Nc1ccc(N2CCNCC2)nn1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 5/20 0.48
HRH4 Q9H3N8 3/20 0.41
KDM4E B2RXH2 3/20 0.40
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HRH3 Q9Y5N1 2/20 0.39
HTR6 P50406 2/20 0.38
HTR3E A5X5Y0 2/20 0.37
HTR3B O95264 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTR3A P46098 2/20 0.37
HTR3D Q70Z44 2/20 0.37
HTR3C Q8WXA8 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
KCNH2 Q12809 1/20 0.36
HTT P42858 2/20 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
SCHEMBL3723054 0.85 BPTF (0.62) BPTFHRH4KDM4ECYP3A4HSD17B10
Hydrochloric Acid SCHEMBL21274572 0.83 BPTF (0.61) BPTFHRH4KDM4ECYP3A4HSD17B10
Tert-Butyl Formate SCHEMBL25272391 0.81 BPTF (0.46) BPTFHRH4KDM4ECYP3A4HSD17B10
SCHEMBL20255516 0.80 TRPV1 (0.38) BPTFKDM4EALDH1A1MEN1KMT2A
Pivalate SCHEMBL28600103 0.77 CHRNB2 (0.49) KDM4EHSD17B10HTR6ALDH1A1KCNH2
SCHEMBL25272390 0.74 MAP4K4 (0.37) BPTFKDM4EALDH1A1MEN1KMT2A
SCHEMBL2421817 0.73 BPTF (0.56) BPTFKDM4ECYP3A4HSD17B10HTR6
SCHEMBL1393962 0.73 KDM4E (0.43) BPTFKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL29942240 0.72 BPTF (0.54) BPTFKDM4ECYP3A4HSD17B10HRH3
SCHEMBL24629084 0.71 BPTF (0.47) BPTFHRH4KDM4ECYP3A4HSD17B10

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-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO disclosed