SCHEMBL8109840

SCHEMBL8109840

CCCOc1c(OC)cc(C(=O)CCC(=O)c2cc(OC)c(OC)c(OC)c2)cc1SCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.38
PTAFR P25105 2/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
TNFRSF1A P19438 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37
SCN1A P35498 1/20 0.37

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
SCHEMBL9829388 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL8109837 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL8109869 0.80 BPTF (0.56) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL9691519 0.78 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2ARAB9AL3MBTL1
SCHEMBL8886466 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL8109885 0.76 PTAFR (0.61) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL9100958 0.76 NPC1 (0.48) SMN1; SMN2KMT2ARAB9A
SCHEMBL9690039 0.76 SMN1; SMN2 (0.46) SMN1; SMN2RAB9AL3MBTL1
SCHEMBL9828738 0.75 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL10448821 0.75 PTAFR (0.57) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A

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