SCHEMBL28369758

SCHEMBL28369758

O=C(OCc1ccc(OCCO)cc1)c1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.70
MEN1 O00255 1/20 0.70
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ESR1 P03372 4/20 0.50
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
NR1H2 P55055 1/20 0.50
RNASEL Q05823 1/20 0.50
SLC6A2 P23975 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CHRM1 P11229 1/20 0.49

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
SCHEMBL3729736 0.88 MAPT (0.58) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL6286657 0.88 KMT2A (0.65) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL4815672 0.85 KMT2A (0.61) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL7791525 0.84 GAA (0.56) LMNASMN1; SMN2MAPTRAB9AESR1
SCHEMBL1549061 0.83 KMT2A (1.00) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL29245494 0.83 KMT2A (1.00) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL9614780 0.82 GAA (0.61) LMNASMN1; SMN2MAPTRAB9AESR1
Hydrogen Sulfide SCHEMBL31314884 0.82 KMT2A (0.96) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL3469196 0.80 GAA (0.74) KMT2AMEN1LMNAMAPTRAB9A
SCHEMBL25119553 0.80 KMT2A (0.58) KMT2AMEN1LMNAMAPTRAB9A

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-108430789-B Thermosensitive recording material 日本化药株式会社 2020-03-31 CN disclosed