SCHEMBL8100808

SCHEMBL8100808

CCCOc1c(OC)cc(C(O)CCC(O)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
TUBB4A P04350 4/20 0.39
TUBB P07437 4/20 0.39
TUBA3C P0DPH7 4/20 0.39
TUBA1B P68363 4/20 0.39
TUBA4A P68366 4/20 0.39
TUBB4B P68371 4/20 0.39
TUBB3 Q13509 4/20 0.39
TUBB2A Q13885 4/20 0.39
TUBB8 Q3ZCM7 4/20 0.39
TUBA3E Q6PEY2 4/20 0.39
TUBA1A Q71U36 4/20 0.39
TUBA1C Q9BQE3 4/20 0.39
TUBB6 Q9BUF5 4/20 0.39
TUBB2B Q9BVA1 4/20 0.39
TUBB1 Q9H4B7 4/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM8 O00222 3/20 0.38

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
SCHEMBL8109509 0.90 TUBB4A (0.46) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9829135 0.84 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8109799 0.77 TPMT (0.47) L3MBTL1HTTMEN1KMT2ATPMT
SCHEMBL10448547 0.77 PTAFR (0.58) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9829357 0.77 TUBB4A (0.41) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28154682 0.76 HTT (0.48) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9828992 0.76 HPGD (0.41) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9829246 0.76 TUBB4A (0.58) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8108901 0.75 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10334569 0.75 TPMT (0.60) L3MBTL1MEN1KMT2ATPMTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650485-B1 2,5-DIARYL TETRAHYDRO-THIOPHENES, -FURANS AND ANALOGS FOR THE TREATMENT OF INFLAMMATORY AND IMMUNE DISORDERS CYTOMED INC (US) 2000-10-11 EP disclosed
US-5856323-A PAF RECEPTOR ANTAGONISTS, INHIBITING THE ENZYME 5-LIPOXYGENASE CYTOMED, INC. (US) 1999-01-05 US disclosed
US-5434151-A Treatment of immune and inflammatory disorders, aryl substituted tetrahydrofurans, tetrahydrothiophenes, cyclopentanes, pyrrolidines CYTOMED, INC. (US) 1995-07-18 US disclosed
EP-0650485-A1 2,5-DIARYL TETRAHYDRO-THIOPHENES, -FURANS AND ANALOGS FOR THE TREATMENT OF INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1995-05-03 EP disclosed
US-5358938-A 2,5-Diaryl tetrahydrofurans, tetrahydrothiophenes, 1,3-cyclo-pentanes and pyrrolidines CYTOMED, INC. (US) 1994-10-25 US disclosed
WO-1994001430-A1 2,5-DIARYL TETRAHYDRO-THIOPHENES, -FURANS AND ANALOGS FOR THE TREATMENT OF INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1994-01-20 WO disclosed