SCHEMBL4946581

SCHEMBL4946581

O=C(O)c1ccc(OCCC2CO2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK1 P28482 2/20 0.51
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
PLA2G4B P0C869 4/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RARB P10826 4/20 0.48
HTT P42858 1/20 0.48
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
PLA2G4A P47712 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
SCHEMBL14175714 0.92 PKM (0.56) PKMMEN1KMT2AMAPK1TSHR
SCHEMBL23817418 0.89 TP53 (0.59) PKMMEN1KMT2ATSHRTP53
SCHEMBL29044854 0.89 TP53 (0.59) PKMMEN1KMT2ATSHRTP53
SCHEMBL9611212 0.84 MAPT (0.46) KMT2ATSHRL3MBTL1HSD17B10
SCHEMBL11179281 0.84 TDP1 (0.50) PKMMEN1KMT2ATSHRTP53
SCHEMBL8120865 0.83 TDP1 (0.62) PKMMEN1KMT2AMAPK1TSHR
SCHEMBL2449453 0.83 TDP1 (0.62) PKMMEN1KMT2AMAPK1TSHR
SCHEMBL8121266 0.83 TDP1 (0.62) PKMMEN1KMT2AMAPK1TSHR
SCHEMBL18259963 0.83 MEN1 (0.58) PKMMEN1KMT2AMAPK1TSHR
SCHEMBL9385927 0.82 MEN1 (0.48) PKMMEN1KMT2AMAPK1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7413782-B2 Polymerizing binaphthalene derivatives CHISSO CORPORATION (JP) 2008-08-19 US disclosed
US-20050179005-A1 Polymerizing binaphthalene derivatives JNC PETROCHEMICAL CORPORATION (JP) 2005-08-18 US disclosed