SCHEMBL7060730

SCHEMBL7060730

OCCOCCOCCOCCOCCOC=Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.38
RECQL P46063 2/20 0.38
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
MAOB P27338 1/20 0.35
IDO1 P14902 2/20 0.35
PAM P19021 1/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
KCNH3 Q9ULD8 1/20 0.35
LMNA P02545 2/20 0.34
HDAC3 O15379 1/20 0.34
TNKS O95271 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL7058227 1.00 MEN1 (0.40) MEN1KMT2AALDH1A1RECQLTSHR
SCHEMBL25430836 1.00 MEN1 (0.40) MEN1KMT2AALDH1A1RECQLTSHR
SCHEMBL1891350 0.89 ALDH1A1 (0.43) ALDH1A1RECQLMAOBIDO1PAM
SCHEMBL13686299 0.84 MAOB (0.48) MEN1KMT2AALDH1A1RECQLMAPK1
SCHEMBL11212657 0.82 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAOBIDO1
SCHEMBL4543864 0.82 RELA (0.41) MEN1KMT2AALDH1A1MAOBIDO1
SCHEMBL28514854 0.81 KMT2A (0.42) MEN1KMT2AALDH1A1RECQLTSHR
Tetraethylene Glycol SCHEMBL1618779 0.80 MEN1 (0.41) MEN1KMT2AALDH1A1RECQLTSHR
SCHEMBL2898682 0.80 RELA (0.46) MEN1KMT2AALDH1A1MAOBIDO1
Water SCHEMBL9515038 0.79 CHRNA7 (0.44) MEN1KMT2AALDH1A1RECQLMAPK1

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-2003025033-A2 NOVEL POLYMERS, THEIR PRODUCTION AND USE ASTON UNIVERSITY (GB) 2003-03-27 WO disclosed