Sugi Predict

Sugi Predict / Compounds / SCHEMBL24824282

SCHEMBL24824282

SCHEMBL24824282

CC(C)[C@H](C)N(C(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ CYP2D6 P10635 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ DGAT1 O75907 1/20 0.30

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
SCHEMBL19492022 0.85 USP30 (0.35) CA1CA2CA7HDAC6HDAC1
SCHEMBL9019269 0.81 HDAC6 (0.33) CA1CA2CA7HDAC6HDAC1
SCHEMBL646682 0.78 MEN1 (0.33) CA1CA2CA7HDAC6HDAC1
SCHEMBL21964901 0.77 CA1 (0.35) CA1CA2CA7HDAC6HDAC1
SCHEMBL22221412 0.76 MEN1 (0.32) HDAC6HDAC1HDAC2
SCHEMBL20811333 0.76 MEN1 (0.32) HDAC6HDAC1HDAC2
SCHEMBL5204515 0.75 CA14 (0.39) CA1CA2CA7HDAC6HDAC1
SCHEMBL30279497 0.73 MEN1 (0.30) —
SCHEMBL23107149 0.72 CA1 (0.36) CA1CA2CA7HDAC6HDAC1
SCHEMBL23773857 0.72 CA1 (0.36) CA1CA2CA7HDAC6HDAC1

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
US-20220416303-A1 FUNCTIONALIZED SILANES AND ELECTROLYTE COMPOSITIONS AND ELECTROCHEMICAL DEVICES CONTAINING THEM ORBIA FLUOR & ENERGY MATERIALS USA, INC. 2022-12-29 — — US disclosed