SCHEMBL4592717

SCHEMBL4592717

OB(O)c1cc(O)c(B(O)O)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
ACHE P22303 1/20 0.33
ENPP2 Q13822 4/20 0.32
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 2/20 0.32
ATP2A2 P16615 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATP2A3 Q93084 1/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
G6PD P11413 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 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
SCHEMBL16429316 0.90 SELL (0.32) SELLSELPSELEACHEENPP2
SCHEMBL29469034 0.80 CA3 (0.33) SELLSELPSELEKDM4EMAPT
SCHEMBL16426122 0.80
SCHEMBL16005085 0.80 CA3 (0.33) SELLSELPSELEKDM4EMAPT
SCHEMBL29952114 0.76 CA1 (0.46) ENPP2CA2CA1KDM4EALDH1A1
SCHEMBL4202551 0.76 CA1 (0.46) ENPP2CA2CA1KDM4EALDH1A1
SCHEMBL15476245 0.74 SELL (0.33) SELLSELPSELEKDM4EALDH1A1
SCHEMBL31050789 0.74 MAPT (0.45) KDM4EALDH1A1MAPTSMN1; SMN2PKM
SCHEMBL15476079 0.74 LMNA (0.45) KDM4EALDH1A1MAPTALOX15SMN1; SMN2
SCHEMBL3791591 0.74 TYR (0.42) ENPP2CA2CA1ALDH1A1MAPT

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-2008022633-A2 SEMICONDUCTING ADDITION POLYMERS HAVING A COLUMNAR STRUCTURE WERNER JOHANNES (DE) 2008-02-28 WO disclosed