SCHEMBL30475619

SCHEMBL30475619

Cn1c(CCO)cnc1CCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.43
MAPT P10636 1/20 0.36
PDE9A O76083 2/20 0.36
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
PDE5A O76074 1/20 0.34
PTGIR P43119 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
BRS3 P32247 1/20 0.34
TBXAS1 P24557 1/20 0.33

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
SCHEMBL30464690 0.87 ALDH1A1 (0.33) HDAC6MAPTP4HTMALDH1A1PKM
SCHEMBL8556750 0.82 HDAC6 (0.41) HDAC6MAPTPDE9AMEN1KMT2A
SCHEMBL18106146 0.77 HDAC6 (0.45) HDAC6MAPTPDE9AMEN1RECQL
SCHEMBL29063426 0.73 HDAC6 (0.39) HDAC6P4HTMALDH1A1TBXAS1
SCHEMBL26912264 0.66 HSD17B10 (0.44) HDAC6MAPTMEN1RECQLKMT2A
SCHEMBL693477 0.66 FNTA (0.47) HDAC6MEN1KMT2A
SCHEMBL9645804 0.65 ALDH1A1 (0.51) HDAC6MAPTMEN1RECQLKMT2A
Bromide SCHEMBL28813244 0.65 FNTA (0.46) HDAC6MEN1KMT2A
SCHEMBL11588269 0.62 HDAC6 (0.44) HDAC6MAPTMEN1RECQLKMT2A
SCHEMBL9689158 0.62 HDAC6 (0.44) HDAC6MAPTMEN1RECQLKMT2A

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
CN-116554008-A Application of hydroxy propionic acid type ionic liquid in phenol extraction 辽宁大学 2023-08-08 CN disclosed