SCHEMBL9488121

SCHEMBL9488121

CCOc1ccc(OCC)c(Oc2cc(OCC)ccc2OCC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.54
KDM4E B2RXH2 2/20 0.53
LTA4H P09960 2/20 0.47
MAPT P10636 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TP53 P04637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL2498271 0.91 NQO1 (0.59) NQO1KDM4ELTA4HMAPTMEN1
SCHEMBL29657372 0.91 NQO1 (0.59) NQO1KDM4ELTA4HMAPTMEN1
SCHEMBL11208564 0.87 LTA4H (0.63) NQO1KDM4ELTA4HMAPTMEN1
SCHEMBL19612211 0.85 KDM4E (0.61) NQO1KDM4EMAPTKMT2ATSHR
Nitrogen SCHEMBL11748831 0.82 LTA4H (0.58) KDM4ELTA4HMAPTMEN1KMT2A
SCHEMBL6766643 0.81 KDM4E (0.56) NQO1KDM4EMAPTMEN1KMT2A
SCHEMBL9487814 0.79 LTA4H (0.48) KDM4ELTA4HMAPTMEN1KMT2A
SCHEMBL1787479 0.79 KDM4E (0.50) NQO1KDM4EMAPTTSHRALDH1A1
SCHEMBL1787478 0.79 KDM4E (0.50) NQO1KDM4EMAPTMEN1KMT2A
SCHEMBL7692656 0.78 NQO1 (0.54) NQO1KDM4ELTA4HMAPTMEN1

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-5250657-A Process for preparing polyarylene thioether SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1993-10-05 US disclosed
EP-0440106-A2 Process for preparing polyarylene thioethers SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1991-08-07 EP disclosed