SCHEMBL6852155

SCHEMBL6852155

C=Cc1ccccc1Oc1ccccc1C=C.COCCOCCOCCOCCO

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 4/20 0.33
CYP3A4 P08684 1/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NFE2L2 Q16236 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL6859300 0.88 ALDH1A1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
Tetraethylene Glycol SCHEMBL6852147 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4726054 0.76 ALDH1A1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL297297 0.75 ALDH1A1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL27794467 0.73 ALDH1A1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
Diphenylether SCHEMBL28826764 0.73 ALDH1A1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
Phosphoric Acid SCHEMBL28094831 0.72 SRC (0.47) KMT2AALDH1A1SMN1; SMN2LMNAHTT
Tetraethylene Glycol SCHEMBL20136291 0.71 MEN1 (0.52) MEN1KMT2AALDH1A1HTTMAPT
Propene SCHEMBL28838388 0.71 MEN1 (0.52) MEN1KMT2AALDH1A1HTTMAPT
Benzene SCHEMBL28138173 0.71 SRC (0.46) KMT2AALDH1A1SMN1; SMN2LMNAHTT

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-20040062989-A1 Binding agent for electrode of electrochemical element and electrode SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-01 US disclosed