SCHEMBL8109837

SCHEMBL8109837

CCCOc1c(OC)cc(C(=O)CCC(=O)c2cc(OC)c(OC)c(OC)c2)cc1SC(C)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
PTAFR P25105 3/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
LMNA P02545 1/20 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
SCHEMBL9829388 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL8109840 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL8109884 0.78 PTAFR (0.45) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL8109869 0.78 BPTF (0.56) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL9100958 0.76 NPC1 (0.48) SMN1; SMN2KMT2ARAB9ALMNA
SCHEMBL9828738 0.75 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL10448821 0.75 PTAFR (0.57) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL9828028 0.75 MEN1 (0.62) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL8109799 0.74 TPMT (0.47) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL7837299 0.73 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4EMEN1L3MBTL1

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