SCHEMBL9370525

SCHEMBL9370525

COc1cc([C@@H](Br)CO)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
CYP3A4 P08684 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
TUBB4A P04350 3/20 0.44
TUBB P07437 3/20 0.44
TUBA3C P0DPH7 3/20 0.44
TUBA1B P68363 3/20 0.44
TUBA4A P68366 3/20 0.44
TUBB4B P68371 3/20 0.44
TUBB3 Q13509 3/20 0.44
TUBB2A Q13885 3/20 0.44
TUBB8 Q3ZCM7 3/20 0.44
TUBA3E Q6PEY2 3/20 0.44
TUBA1A Q71U36 3/20 0.44
TUBA1C Q9BQE3 3/20 0.44
TUBB6 Q9BUF5 3/20 0.44
TUBB2B Q9BVA1 3/20 0.44
TUBB1 Q9H4B7 3/20 0.44
PTGS2 P35354 1/20 0.44
ACHE P22303 1/20 0.43

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
SCHEMBL7752210 0.84 PTGS2 (0.52) MAPTCYP3A4L3MBTL1TUBB4ATUBB
SCHEMBL7927826 0.78 CYP3A4 (0.61) MAPTCYP3A4L3MBTL1TUBB4ATUBB
SCHEMBL8173411 0.77 MAPT (0.47) MAPTCYP3A4L3MBTL1TUBB4ATUBB
SCHEMBL4304719 0.75 ACHE (0.50) MAPTCYP3A4L3MBTL1TUBB4ATUBB
SCHEMBL18943966 0.74 TUBB4A (0.53) MAPTCYP3A4L3MBTL1TUBB4ATUBB
SCHEMBL7815796 0.73 TUBB4A (0.55) MAPTCYP3A4L3MBTL1TUBB4ATUBB
SCHEMBL18287920 0.73 MAPT (0.56) MAPTCYP3A4L3MBTL1TUBB4ATUBB
SCHEMBL9829246 0.72 TUBB4A (0.58) MAPTCYP3A4L3MBTL1TUBB4ATUBB
SCHEMBL2007010 0.72 TUBB4A (0.58) MAPTCYP3A4L3MBTL1TUBB4ATUBB
SCHEMBL11202653 0.72 HTT (0.46) MAPTCYP3A4L3MBTL1TUBB4ATUBB

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-0574510-A4 NEOLIGNAN DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS INNOVATIVE TECH CENTER (US) 1994-07-06 EP disclosed
EP-0574510-A1 NEOLIGNAN DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS CENTER FOR INNOVATIVE TECHNOLOGY (US) 1993-12-22 EP disclosed