SCHEMBL8109799

SCHEMBL8109799

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABCB1 P08183 2/20 0.43
ABCC1 P33527 2/20 0.43
HTT P42858 1/20 0.43
DBH P09172 1/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL8109202 0.90 TPMT (0.52) TPMTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10334569 0.86 TPMT (0.60) TPMTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10335547 0.85 SMN1; SMN2 (0.48) TPMTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9830623 0.83 KDM4E (0.44) TPMTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10334325 0.80 TPMT (0.56) TPMTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8109869 0.80 BPTF (0.56) ALDH1A1SMN1; SMN2THRATHRBMEN1
SCHEMBL10334328 0.79 SLC6A5 (0.44) TPMTALDH1A1SMN1; SMN2THRATHRB
SCHEMBL10335915 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1GAA
SCHEMBL1447632 0.78 TPMT (0.51) TPMTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9829388 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2THRATHRBMEN1

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