SCHEMBL28490346

SCHEMBL28490346

C(=C(c1ccccc1)c1ccccc1)c1ccc(OCC2CO2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP2D6 P10635 1/20 0.49
ALDH1A1 P00352 5/20 0.47
TP53 P04637 3/20 0.47
TSHR P16473 3/20 0.47
HIF1A Q16665 2/20 0.47
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
PKM P14618 2/20 0.47
CYP1A2 P05177 1/20 0.47
PPARG P37231 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46

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
SCHEMBL15899576 0.80 TDP1 (0.71) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL28483597 0.80 TDP1 (0.71) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL15899575 0.80 TDP1 (0.71) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL11490554 0.80 TDP1 (0.50) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL13337948 0.80 SMN1; SMN2 (0.43) TDP1MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL5685235 0.78 ALDH1A1 (0.51) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL8077050 0.78 ALDH1A1 (0.51) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL1160078 0.78 TDP1 (0.67) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL12319180 0.78 TDP1 (0.67) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL1582872 0.78 TDP1 (1.00) TDP1MEN1KMT2AALDH1A1TP53

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-111875781-A Composition for preparing glass-like polymer, glass-like polymer and preparation method and application thereof 南开大学 2020-11-03 CN claimed