Antiarol

Antiarol

SCHEMBL7459043

COc1cc(O)cc(OC)c1OC.COc1ccc(S(=O)(=O)Oc2cc(OC)c(OC)c(OC)c2)cc1

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP1A1 P04798 4/20 0.48
TUBB4A P04350 4/20 0.48
TUBB P07437 4/20 0.48
TUBA3C P0DPH7 4/20 0.48
TUBA1B P68363 4/20 0.48
TUBA4A P68366 4/20 0.48
TUBB4B P68371 4/20 0.48
TUBB3 Q13509 4/20 0.48
TUBB2A Q13885 4/20 0.48
TUBB8 Q3ZCM7 4/20 0.48
TUBA3E Q6PEY2 4/20 0.48
TUBA1A Q71U36 4/20 0.48
TUBA1C Q9BQE3 4/20 0.48

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
SCHEMBL6344050 0.93 LMNA (0.58) L3MBTL1LMNAHTTSMN1; SMN2TDP1
SCHEMBL6496116 0.82 CYP1A1 (0.52) MAPTL3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL6340655 0.82 TUBB4A (0.53) L3MBTL1LMNAHTTSMN1; SMN2TDP1
SCHEMBL2236652 0.81 CYP1A1 (0.54) L3MBTL1LMNAHTTSMN1; SMN2TDP1
SCHEMBL6341347 0.78 TUBB4A (0.54) CYP3A4MAPTL3MBTL1LMNAHTT
SCHEMBL2236467 0.77 PTGS2 (0.59) MAPTLMNAHTTCYP1A1
Antiarol SCHEMBL7467110 0.76 CYP1A1 (0.46) CYP3A4MAPTLMNASMN1; SMN2TDP1
SCHEMBL8818892 0.76 TDP1 (0.68) MAPTL3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL6340685 0.75 CA1 (0.52) MAPTCYP1A1TUBB4ATUBBTUBA3C
SCHEMBL2237499 0.74 CYP19A1 (0.51) CYP3A4LMNATDP1CYP1A1TUBB4A

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
EP-1181269-A1 CELL PROLIFERATION INHIBITORS ABBOTT LABORATORIES (US) 2002-02-27 EP disclosed
WO-2000073264-A1 CELL PROLIFERATION INHIBITORS ABBOTT LABORATORIES (US) 2000-12-07 WO disclosed