SCHEMBL9708987

SCHEMBL9708987

COc1cc(N(C)Cc2ccccc2)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC1 Q13547 1/20 0.51
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 1/20 0.50
DHFR P00374 2/20 0.48
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45
TUBA1B P68363 2/20 0.45
TUBA4A P68366 2/20 0.45
TUBB4B P68371 2/20 0.45
TUBB3 Q13509 2/20 0.45
TUBB2A Q13885 2/20 0.45
TUBB8 Q3ZCM7 2/20 0.45
TUBA3E Q6PEY2 2/20 0.45

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
SCHEMBL7318334 0.86 POLB (0.52) POLBSMN1; SMN2MAPK1L3MBTL1KDM4E
SCHEMBL15720901 0.81 KDM4E (0.73) POLBSMN1; SMN2MAPK1L3MBTL1KDM4E
SCHEMBL9709038 0.81 TSHR (0.59) POLBSMN1; SMN2MAPK1L3MBTL1KDM4E
SCHEMBL13177255 0.80 KDM4E (0.47) POLBSMN1; SMN2MAPK1KDM4EGAA
SCHEMBL7268018 0.79 KDM4E (0.65) POLBSMN1; SMN2MAPK1L3MBTL1KDM4E
SCHEMBL29066061 0.78 TUBB1 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14266667 0.77 TSHR (0.57) MAPK1ALDH1A1TSHR
SCHEMBL10889202 0.77 CALM1 (0.56) MAPK1TSHR
SCHEMBL12933663 0.74 PTGS2 (0.52) MAPTALDH1A1DHFRTUBB4ATUBB
SCHEMBL11680743 0.74 TSHR (0.50) POLBSMN1; SMN2MAPK1KDM4EGAA

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
EP-0515684-A1 INHIBITOR OF DENATURED LDL FORMATION Chugai Seiyaku Kabushiki Kaisha (JP) 1992-12-02 EP disclosed