SCHEMBL8462018

SCHEMBL8462018

CC(O)COc1ccc(C(C)(C)c2ccc(OCC(C)O)cc2)cc1.CC(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.49
HTT P42858 1/20 0.49
AR P10275 3/20 0.48
LMNA P02545 1/20 0.46
ESR1 P03372 4/20 0.46
ESR2 Q92731 4/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
HTR6 P50406 1/20 0.46
ESRRG P62508 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
PTGS1 P23219 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL823191 0.93 HIF1A (0.55) HIF1AHTTARLMNAESR1
SCHEMBL13892365 0.93 HIF1A (0.55) HIF1AHTTARLMNAESR1
SCHEMBL15703195 0.89 ESR1 (0.57) HIF1ALMNAESR1ESR2SLC6A2
SCHEMBL376300 0.86 HIF1A (0.61) HIF1AHTTARLMNAHPGD
SCHEMBL23992613 0.85 HTT (0.54) HIF1AHTTARLMNAHPGD
SCHEMBL22481815 0.83 HIF1A (0.49) HIF1AHTTARLMNAESR1
SCHEMBL20052302 0.82 HIF1A (0.54) HIF1AHTTARLMNAHPGD
SCHEMBL17702714 0.82 HIF1A (0.56) HIF1AHTTARLMNAHPGD
SCHEMBL13851882 0.82 HTT (0.65) HIF1AHTTARLMNASLC6A2
SCHEMBL13567688 0.82 HTT (0.65) HIF1AHTTARLMNAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5925725-A WATER DILUTABLE EPOXY RESINS VIANOVA RESINS GMBH (DE) 1999-07-20 US claimed