SCHEMBL8625669

SCHEMBL8625669

COc1ccc2c(c1)c(O)nn2Cc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 8/20 0.44
TUBB4A P04350 6/20 0.44
TUBB P07437 6/20 0.44
TUBA3C P0DPH7 6/20 0.44
TUBA1B P68363 6/20 0.44
TUBA4A P68366 6/20 0.44
TUBB4B P68371 6/20 0.44
TUBB3 Q13509 6/20 0.44
TUBB2A Q13885 6/20 0.44
TUBB8 Q3ZCM7 6/20 0.44
TUBA3E Q6PEY2 6/20 0.44
TUBA1A Q71U36 6/20 0.44
TUBA1C Q9BQE3 6/20 0.44
TUBB6 Q9BUF5 6/20 0.44
TUBB2B Q9BVA1 6/20 0.44
HSP90AA1 P07900 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL8448659 0.85 CNR1 (0.52) MEN1MAPTKMT2ACNR1CNR2
SCHEMBL8448874 0.82 MAPT (0.49) MEN1MAPTKMT2ACNR1CNR2
SCHEMBL8447010 0.82 APLNR (0.47) MEN1TP53MAPTKMT2A
SCHEMBL8627206 0.82 BUB1 (0.44) MAPTKMT2ACNR1CNR2
SCHEMBL6966885 0.81 KDM4E (0.50) MEN1TP53MAPTKMT2ACNR1
SCHEMBL8441605 0.81 PTGS2 (0.50) MAPTKMT2ACNR1CNR2
SCHEMBL8445101 0.80 NPBWR1 (0.46) L3MBTL1MEN1MAPTKMT2ACNR1
SCHEMBL8450448 0.79 AKR1C3 (0.51) L3MBTL1MAPTKMT2ACNR1CNR2
SCHEMBL8310022 0.79 CCR2 (0.50) MEN1MAPTKMT2ACNR1CNR2
SCHEMBL8447799 0.79 FAAH (0.49) L3MBTL1MEN1TP53MAPTKMT2A

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
US-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 US disclosed