SCHEMBL5086131

SCHEMBL5086131

CC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1.Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.69
ESR2 Q92731 7/20 0.69
CYP3A4 P08684 3/20 0.63
ALDH1A1 P00352 2/20 0.63
HPGD P15428 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
AR P10275 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR6 P50406 1/20 0.50
ESRRG P62508 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CNR1 P21554 4/20 0.42
CNR2 P34972 4/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
TYR P14679 1/20 0.41
TTR P02766 1/20 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
SCHEMBL30899192 0.93 ESR2 (0.74) ESR1ESR2CYP3A4ALDH1A1HPGD
SCHEMBL3649814 0.87 ESR1 (0.61) ESR1ESR2CYP3A4ALDH1A1HPGD
Phenol SCHEMBL2993673 0.87 ESR1 (0.57) ESR1ESR2CYP3A4ALDH1A1HPGD
SCHEMBL2004560 0.85 ESR1 (0.66) ESR1ESR2CYP3A4ALDH1A1CNR1
SCHEMBL728306 0.85 ESR1 (0.70) ESR1ESR2CYP3A4ALDH1A1HPGD
Bisphenol A SCHEMBL7237612 0.85 ESR1 (0.87) ESR1ESR2CYP3A4ALDH1A1HPGD
SCHEMBL1023357 0.85 ESR1 (0.59) ESR1ESR2CYP3A4ALDH1A1HPGD
SCHEMBL13609942 0.85 ESR1 (0.59) ESR1ESR2CYP3A4ALDH1A1HPGD
SCHEMBL3660292 0.85 ESR1 (0.87) ESR1ESR2CYP3A4ALDH1A1HPGD
SCHEMBL9284623 0.85 ESR1 (0.87) ESR1ESR2CYP3A4ALDH1A1HPGD

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-20080125527-A1 Flame-Retardant Resin Composition KANEKA CORPORATION (JP) 2008-05-29 US disclosed