SCHEMBL8109843

SCHEMBL8109843

CCCOc1c(CCO)sc(C(=O)CCC(=O)c2cc(OC)c(OC)c(OC)c2)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
S1PR1 P21453 1/20 0.36
PTAFR P25105 2/20 0.36
BPTF Q12830 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
TNFRSF1A P19438 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
THPO P40225 1/20 0.35

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
SCHEMBL8109869 0.78 BPTF (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8109840 0.74 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8109885 0.73 PTAFR (0.61) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9829388 0.73 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9828738 0.72 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL10448821 0.72 PTAFR (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9828028 0.72 MEN1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8109799 0.71 TPMT (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7116215 0.71 BPTF (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL7837299 0.71 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AL3MBTL1KDM4E

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