SCHEMBL2878591

SCHEMBL2878591

CCCc1ccc(Oc2cc(O)cc(C(=O)c3ccccc3)c2O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PGR P06401 1/20 0.47
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47
CYP2C19 P33261 1/20 0.47
HRH1 P35367 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PDE4D Q08499 1/20 0.47
BCL2 P10415 2/20 0.46
MCL1 Q07820 2/20 0.46
SRD5A2 P31213 3/20 0.44
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 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
SCHEMBL2876239 0.93 HPGD (0.45) HPGDALDH1A1HTTMAPK1LMNA
SCHEMBL2881184 0.90 ALDH1A1 (0.49) HPGDALDH1A1HTTMAPK1LMNA
SCHEMBL2872131 0.84 LMNA (0.52) HPGDALDH1A1HTTMAPK1LMNA
SCHEMBL2877480 0.77 MAPT (0.46) HPGDALDH1A1HTTMAPK1LMNA
SCHEMBL28467354 0.77 STAT3 (0.46) LMNAMAPT
SCHEMBL2859228 0.75 HPGD (0.47) HPGDALDH1A1HTTMAPK1LMNA
SCHEMBL28328950 0.74 KMT2A (0.58) HPGDALDH1A1HTTMAPK1LMNA
SCHEMBL2878593 0.72 NPC1 (0.47) HPGDALDH1A1LMNACYP1A2CYP2C19
SCHEMBL10076345 0.72 SRD5A2 (0.55) HPGDHTTLMNASRD5A2MAPT
SCHEMBL30084754 0.72 HPGD (0.65) HPGDALDH1A1HTTMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713449-B2 Polymer electrolytic material, polymer electrolytic part, membrane electrode assembly, and polymer electrolyte fuel cell TORAY INDUSTRIES, INC. (JP) 2010-05-11 US disclosed
US-20060180796-A1 Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell TORAY INDUSTRIES, INC. (JP) 2006-08-17 US disclosed
EP-1619735-A1 POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE PART, MEMBRANE ELECTRODE COMPOSITE AND POLYMER ELECTROLYTE TYPE FUEL CELL TORAY INDUSTRIES, INC. (JP) 2006-01-25 EP disclosed