SCHEMBL7367549

SCHEMBL7367549

COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2OC)c(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
PTPN1 P18031 1/20 0.49
TUBB1 Q9H4B7 5/20 0.48
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
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

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
SCHEMBL9726919 0.91 MAPT (0.58) MAPTTDP1MEN1ALDH1A1KMT2A
SCHEMBL8484355 0.85 HTT (0.54) MAPTTDP1MEN1ALDH1A1KMT2A
SCHEMBL4823325 0.84 TUBB1 (0.59) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10589919 0.82 KMT2A (0.50) MAPTTDP1MEN1ALDH1A1KMT2A
SCHEMBL8320950 0.82 MCL1 (0.51) MAPTTDP1PTPN1TUBB1KDM4E
SCHEMBL30069060 0.81 ALDH1A1 (0.59) MAPTTDP1MEN1ALDH1A1KMT2A
SCHEMBL1421887 0.81 ALDH1A1 (0.59) MAPTTDP1MEN1ALDH1A1KMT2A
SCHEMBL5709936 0.80 NPC1 (0.56) MAPTTDP1MEN1ALDH1A1KMT2A
SCHEMBL30374830 0.80 NPC1 (0.56) MAPTTDP1MEN1ALDH1A1KMT2A
SCHEMBL2137968 0.79 MAPT (0.58) MAPTALDH1A1KMT2ATUBB1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888052-A4 XANTHONE ANALOGS FOR THE TREATMENT OF INFECTIOUS DISEASES INTERLAB CORP (US) 2002-05-22 EP disclosed
EP-0888052-A1 XANTHONE ANALOGS FOR THE TREATMENT OF INFECTIOUS DISEASES INTERLAB CORPORATION (US) 1999-01-07 EP disclosed
WO-1997034482-A1 XANTHONE ANALOGS FOR THE TREATMENT OF INFECTIOUS DISEASES INTERLAB CORP. (US) 1997-09-25 WO disclosed